5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride

C63H57Cl4N15O7 — CID 159606778

IUPAC5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride
SMILESCc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.O=C(O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/2C21H18ClN5O2.C14H9ClN2O3.C7H11N3.ClH/c2*1-12-14(3-5-19(23)27-12)9-25-20(28)21-26-11-17(29-21)7-13-2-4-18-15(6-13)8-16(22)10-24-18;15-10-5-9-3-8(1-2-12(9)16-6-10)4-11-7-17-13(20-11)14(18)19;1-5-6(4-8)2-3-7(9)10-5;/h2*2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,25,28);1-3,5-7H,4H2,(H,18,19);2-3H,4,8H2,1H3,(H2,9,10);1H
InChIKeySNCDVHUGJBJALA-UHFFFAOYSA-N
MW1278.06 g/mol
LogP11.38
Rot. Bonds14

About 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride

5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride (PubChem CID 159606778) has the molecular formula C63H57Cl4N15O7 and a molecular weight of 1278.06 g/mol. Its IUPAC name is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride
PubChem CID159606778
Molecular FormulaC63H57Cl4N15O7
Molecular Weight1278.06 g/mol
Exact Mass1275.33
IUPAC Name5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride
SMILESCc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.O=C(O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1
InChIInChI=1S/2C21H18ClN5O2.C14H9ClN2O3.C7H11N3.ClH/c2*1-12-14(3-5-19(23)27-12)9-25-20(28)21-26-11-17(29-21)7-13-2-4-18-15(6-13)8-16(22)10-24-18;15-10-5-9-3-8(1-2-12(9)16-6-10)4-11-7-17-13(20-11)14(18)19;1-5-6(4-8)2-3-7(9)10-5;/h2*2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,25,28);1-3,5-7H,4H2,(H,18,19);2-3H,4,8H2,1H3,(H2,9,10);1H
InChIKeySNCDVHUGJBJALA-UHFFFAOYSA-N
XLogP11.38
TPSA355.01 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001278.06
LogP ≤ 511.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride (CID 159606778) is 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride is Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cc1nc(N)ccc1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.Cl.O=C(O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)o1.
What is the InChIKey of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride?
The InChIKey is SNCDVHUGJBJALA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H18ClN5O2.C14H9ClN2O3.C7H11N3.ClH/c2*1-12-14(3-5-19(23)27-12)9-25-20(28)21-26-11-17(29-21)7-13-2-4-18-15(6-13)8-16(22)10-24-18;15-10-5-9-3-8(1-2-12(9)16-6-10)4-11-7-17-13(20-11)14(18)19;1-5-6(4-8)2-3-7(9)10-5;/h2*2-6,8,10-11H,7,9H2,1H3,(H2,23,27)(H,25,28);1-3,5-7H,4H2,(H,18,19);2-3H,4,8H2,1H3,(H2,9,10);1H.
What are the key properties of 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride?
5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride has a molecular weight of 1278.06 g/mol, XLogP of 11.38, 14 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-methylpyridin-2-amine;bis(N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxamide);5-[(3-chloroquinolin-6-yl)methyl]-1,3-oxazole-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 159606778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).