N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane

C47H50Cl2N10O3 — CID 158051647

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3.CH4/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9;/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4
InChIKeyFJOCDJDUQJXUJP-UHFFFAOYSA-N
MW873.89 g/mol
LogP9.21
Rot. Bonds9

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane (PubChem CID 158051647) has the molecular formula C47H50Cl2N10O3 and a molecular weight of 873.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane
PubChem CID158051647
Molecular FormulaC47H50Cl2N10O3
Molecular Weight873.89 g/mol
Exact Mass872.34
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane
SMILESC.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3.CH4/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9;/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4
InChIKeyFJOCDJDUQJXUJP-UHFFFAOYSA-N
XLogP9.21
TPSA227.60 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500873.89
LogP ≤ 59.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane with MolForge

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Related Compounds

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US10023557, Example 97
CID 118665282
US10023557, Example 96
CID 118665320
US10023557, Example 24
CID 118665371
US10308637, Example 209
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US10023557, Example 223
CID 124182300
US10023557, Example 224
CID 124182897
US10023557, Example 316
CID 124183126
US10023557, Example 219
CID 126501514

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane (CID 158051647) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.O=C(O)c1ccnc(Cc2ccc3[nH]cc(Cl)c3c2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane?
The InChIKey is FJOCDJDUQJXUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O.C15H11ClN2O2.C8H13N3.CH4/c1-13-7-22(25)29-14(2)19(13)11-28-23(30)16-5-6-26-17(10-16)8-15-3-4-21-18(9-15)20(24)12-27-21;16-13-8-18-14-2-1-9(6-12(13)14)5-11-7-10(15(19)20)3-4-17-11;1-5-3-8(10)11-6(2)7(5)4-9;/h3-7,9-10,12,27H,8,11H2,1-2H3,(H2,25,29)(H,28,30);1-4,6-8,18H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4.
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane has a molecular weight of 873.89 g/mol, XLogP of 9.21, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(3-chloro-1H-indol-5-yl)methyl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 158051647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).