6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C20H18N6O2 — CID 52935276

IUPAC6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cnc(-c4ccnc(N)n4)cc3[nH]2)c1
InChIInChI=1S/C20H18N6O2/c1-28-14-4-2-3-12(7-14)10-24-19(27)18-8-13-11-23-17(9-16(13)25-18)15-5-6-22-20(21)26-15/h2-9,11,25H,10H2,1H3,(H,24,27)(H2,21,22,26)
InChIKeyYSZLJOVMBQPJJH-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.54
Rot. Bonds5

About 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 52935276) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID52935276
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3cnc(-c4ccnc(N)n4)cc3[nH]2)c1
InChIInChI=1S/C20H18N6O2/c1-28-14-4-2-3-12(7-14)10-24-19(27)18-8-13-11-23-17(9-16(13)25-18)15-5-6-22-20(21)26-15/h2-9,11,25H,10H2,1H3,(H,24,27)(H2,21,22,26)
InChIKeyYSZLJOVMBQPJJH-UHFFFAOYSA-N
XLogP2.54
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide with MolForge

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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-amino-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 57403071
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
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110
6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide
CID 67108153
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
4-amino-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242597
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
6-methoxy-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55694524

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 52935276) is 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cccc(CNC(=O)c2cc3cnc(-c4ccnc(N)n4)cc3[nH]2)c1.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YSZLJOVMBQPJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-28-14-4-2-3-12(7-14)10-24-19(27)18-8-13-11-23-17(9-16(13)25-18)15-5-6-22-20(21)26-15/h2-9,11,25H,10H2,1H3,(H,24,27)(H2,21,22,26).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 52935276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).