N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

C20H21N5O3 — CID 167965095

IUPACN-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCN(C[C@@H]1CCCN1C(=O)c1cncc(O)c1)C(=O)c1nccc2[nH]ccc12
InChIInChI=1S/C20H21N5O3/c1-24(20(28)18-16-4-6-22-17(16)5-7-23-18)12-14-3-2-8-25(14)19(27)13-9-15(26)11-21-10-13/h4-7,9-11,14,22,26H,2-3,8,12H2,1H3/t14-/m0/s1
InChIKeyCRVLIEURUIMFBE-AWEZNQCLSA-N
MW379.42 g/mol
LogP2.04
Rot. Bonds4

About N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 167965095) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID167965095
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCN(C[C@@H]1CCCN1C(=O)c1cncc(O)c1)C(=O)c1nccc2[nH]ccc12
InChIInChI=1S/C20H21N5O3/c1-24(20(28)18-16-4-6-22-17(16)5-7-23-18)12-14-3-2-8-25(14)19(27)13-9-15(26)11-21-10-13/h4-7,9-11,14,22,26H,2-3,8,12H2,1H3/t14-/m0/s1
InChIKeyCRVLIEURUIMFBE-AWEZNQCLSA-N
XLogP2.04
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 167743733
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
(3,5-dihydroxyphenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 107703913
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 79319888
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
1-(5-hydroxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45074740
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (CID 167965095) is N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is CN(C[C@@H]1CCCN1C(=O)c1cncc(O)c1)C(=O)c1nccc2[nH]ccc12.
What is the InChIKey of N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is CRVLIEURUIMFBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-24(20(28)18-16-4-6-22-17(16)5-7-23-18)12-14-3-2-8-25(14)19(27)13-9-15(26)11-21-10-13/h4-7,9-11,14,22,26H,2-3,8,12H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide?
N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 167965095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).