5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride

C53H55Cl3N10O7 — CID 158401986

IUPAC5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride
SMILESC.COC(=O)c1cc(Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)cc2cc(Cl)cnc12.COC(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cl
InChIInChI=1S/C26H24ClN5O3.C18H13ClN2O4.C8H13N3.CH4.ClH/c1-14-6-23(28)32-15(2)22(14)13-31-25(33)17-4-5-29-20(11-17)8-16-7-18-10-19(27)12-30-24(18)21(9-16)26(34)35-3;1-25-18(24)15-6-10(4-12-7-13(19)9-21-16(12)15)5-14-8-11(17(22)23)2-3-20-14;1-5-3-8(10)11-6(2)7(5)4-9;;/h4-7,9-12H,8,13H2,1-3H3,(H2,28,32)(H,31,33);2-4,6-9H,5H2,1H3,(H,22,23);3H,4,9H2,1-2H3,(H2,10,11);1H4;1H
InChIKeyIRBIPPORYJWOOA-UHFFFAOYSA-N
MW1050.44 g/mol
LogP9.34
Rot. Bonds11

About 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride

5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride (PubChem CID 158401986) has the molecular formula C53H55Cl3N10O7 and a molecular weight of 1050.44 g/mol. Its IUPAC name is 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride
PubChem CID158401986
Molecular FormulaC53H55Cl3N10O7
Molecular Weight1050.44 g/mol
Exact Mass1048.33
IUPAC Name5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride
SMILESC.COC(=O)c1cc(Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)cc2cc(Cl)cnc12.COC(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cl
InChIInChI=1S/C26H24ClN5O3.C18H13ClN2O4.C8H13N3.CH4.ClH/c1-14-6-23(28)32-15(2)22(14)13-31-25(33)17-4-5-29-20(11-17)8-16-7-18-10-19(27)12-30-24(18)21(9-16)26(34)35-3;1-25-18(24)15-6-10(4-12-7-13(19)9-21-16(12)15)5-14-8-11(17(22)23)2-3-20-14;1-5-3-8(10)11-6(2)7(5)4-9;;/h4-7,9-12H,8,13H2,1-3H3,(H2,28,32)(H,31,33);2-4,6-9H,5H2,1H3,(H,22,23);3H,4,9H2,1-2H3,(H2,10,11);1H4;1H
InChIKeyIRBIPPORYJWOOA-UHFFFAOYSA-N
XLogP9.34
TPSA274.40 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001050.44
LogP ≤ 59.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxylate
CID 57395611
US10023557, Example 93
CID 118665155
US10023557, Example 95
CID 118665172
US10023557, Example 94
CID 118665190
US10023557, Example 92
CID 118665210
US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 84
CID 118665404
US10023557, Example 212
CID 124181946
US10308637, Example 209
CID 124181955
US10023557, Example 275
CID 124182386
US10023557, Example 277
CID 124182400

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride?
The IUPAC name of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride (CID 158401986) is 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride is C.COC(=O)c1cc(Cc2cc(C(=O)NCc3c(C)cc(N)nc3C)ccn2)cc2cc(Cl)cnc12.COC(=O)c1cc(Cc2cc(C(=O)O)ccn2)cc2cc(Cl)cnc12.Cc1cc(N)nc(C)c1CN.Cl.
What is the InChIKey of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride?
The InChIKey is IRBIPPORYJWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O3.C18H13ClN2O4.C8H13N3.CH4.ClH/c1-14-6-23(28)32-15(2)22(14)13-31-25(33)17-4-5-29-20(11-17)8-16-7-18-10-19(27)12-30-24(18)21(9-16)26(34)35-3;1-25-18(24)15-6-10(4-12-7-13(19)9-21-16(12)15)5-14-8-11(17(22)23)2-3-20-14;1-5-3-8(10)11-6(2)7(5)4-9;;/h4-7,9-12H,8,13H2,1-3H3,(H2,28,32)(H,31,33);2-4,6-9H,5H2,1H3,(H,22,23);3H,4,9H2,1-2H3,(H2,10,11);1H4;1H.
What are the key properties of 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride?
5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride has a molecular weight of 1050.44 g/mol, XLogP of 9.34, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-8-methoxycarbonylquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 6-[[4-[(6-amino-2,4-dimethyl-3-pyridinyl)methylcarbamoyl]-2-pyridinyl]methyl]-3-chloroquinoline-8-carboxylate;hydrochloride is sourced from PubChem (CID 158401986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).