N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide

C22H22N6O — CID 167321974

IUPACN-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3cc4cnccc4cn3)cc2[nH]1
InChIInChI=1S/C22H22N6O/c1-14-3-2-6-28(14)13-18-7-17-12-25-21(9-19(17)26-18)27-22(29)20-8-16-10-23-5-4-15(16)11-24-20/h4-5,7-12,14,26H,2-3,6,13H2,1H3,(H,25,27,29)/t14-/m0/s1
InChIKeyFWTGVDLXOOWZCC-AWEZNQCLSA-N
MW386.46 g/mol
LogP3.74
Rot. Bonds4

About N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide (PubChem CID 167321974) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide
PubChem CID167321974
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide
SMILESC[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3cc4cnccc4cn3)cc2[nH]1
InChIInChI=1S/C22H22N6O/c1-14-3-2-6-28(14)13-18-7-17-12-25-21(9-19(17)26-18)27-22(29)20-8-16-10-23-5-4-15(16)11-24-20/h4-5,7-12,14,26H,2-3,6,13H2,1H3,(H,25,27,29)/t14-/m0/s1
InChIKeyFWTGVDLXOOWZCC-AWEZNQCLSA-N
XLogP3.74
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-(1-pyridin-4-ylethyl)benzamide
CID 156503327
4-carbamimidoyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 167321951
4-imidazol-1-yl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]benzamide
CID 156523294
3-amino-1-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]indazole-6-carboxamide
CID 156503329
3-methyl-N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-indazole-6-carboxamide
CID 156523487
N-[2-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-4-pyridinyl]-1H-indazole-5-carboxamide
CID 156794323
6-fluoro-N-[2-(1-methylpyrrolidin-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]pyridine-3-carboxamide
CID 178055599
N-[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-1-methylindazole-5-carboxamide
CID 156523274
1,3-dimethyl-N-[2-[(2R)-1-methylpyrrolidin-2-yl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2H-benzotriazole-5-carboxamide
CID 176732936
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-1-pyridin-4-ylindazole-5-carboxamide
CID 156794321
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-6-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 156794328

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide (CID 167321974) is N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide is C[C@H]1CCCN1Cc1cc2cnc(NC(=O)c3cc4cnccc4cn3)cc2[nH]1.
What is the InChIKey of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide?
The InChIKey is FWTGVDLXOOWZCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-3-2-6-28(14)13-18-7-17-12-25-21(9-19(17)26-18)27-22(29)20-8-16-10-23-5-4-15(16)11-24-20/h4-5,7-12,14,26H,2-3,6,13H2,1H3,(H,25,27,29)/t14-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide?
N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1H-pyrrolo[3,2-c]pyridin-6-yl]-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 167321974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).