6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

C22H20N4O2 — CID 57403071

IUPAC6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)c4)cc3[nH]2)c1
InChIInChI=1S/C22H20N4O2/c1-28-18-4-2-3-14(9-18)13-25-22(27)20-11-17-6-5-15(10-19(17)26-20)16-7-8-24-21(23)12-16/h2-12,26H,13H2,1H3,(H2,23,24)(H,25,27)
InChIKeyZVZXPIZWXYASPP-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.75
Rot. Bonds5

About 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 57403071) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID57403071
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)c4)cc3[nH]2)c1
InChIInChI=1S/C22H20N4O2/c1-28-18-4-2-3-14(9-18)13-25-22(27)20-11-17-6-5-15(10-19(17)26-20)16-7-8-24-21(23)12-16/h2-12,26H,13H2,1H3,(H2,23,24)(H,25,27)
InChIKeyZVZXPIZWXYASPP-UHFFFAOYSA-N
XLogP3.75
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117077677
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 52935276
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329
6-methoxy-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-indole-2-carboxamide
CID 122245900
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 38420989
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
N-[[3-(2-amino-4-pyridinyl)phenyl]methyl]acetamide
CID 144513421
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
N-[(4-amino-2-pyridinyl)methyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 151951735

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 57403071) is 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1cccc(CNC(=O)c2cc3ccc(-c4ccnc(N)c4)cc3[nH]2)c1.
What is the InChIKey of 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ZVZXPIZWXYASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-28-18-4-2-3-14(9-18)13-25-22(27)20-11-17-6-5-15(10-19(17)26-20)16-7-8-24-21(23)12-16/h2-12,26H,13H2,1H3,(H2,23,24)(H,25,27).
What are the key properties of 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 57403071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).