N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C20H22N4O2 — CID 166277796

IUPACN-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O2/c25-16-7-10-24(11-8-16)13-14-3-5-15(6-4-14)22-20(26)19-12-18-17(23-19)2-1-9-21-18/h1-6,9,12,16,23,25H,7-8,10-11,13H2,(H,22,26)
InChIKeyNVQBBNQTOHDVCS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.77
Rot. Bonds4

About N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 166277796) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID166277796
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc2ncccc2[nH]1
InChIInChI=1S/C20H22N4O2/c25-16-7-10-24(11-8-16)13-14-3-5-15(6-4-14)22-20(26)19-12-18-17(23-19)2-1-9-21-18/h1-6,9,12,16,23,25H,7-8,10-11,13H2,(H,22,26)
InChIKeyNVQBBNQTOHDVCS-UHFFFAOYSA-N
XLogP2.77
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(1H-imidazol-2-yl)benzamide
CID 166316191
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 55850060
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 167929276
3-[2-(3H-benzimidazol-1-ium-1-yl)ethynyl]-N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]benzamide
CID 123663149
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
1-(4-methoxyphenyl)-N-[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 170552898
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 89450524

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 166277796) is N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1cc2ncccc2[nH]1.
What is the InChIKey of N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is NVQBBNQTOHDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-16-7-10-24(11-8-16)13-14-3-5-15(6-4-14)22-20(26)19-12-18-17(23-19)2-1-9-21-18/h1-6,9,12,16,23,25H,7-8,10-11,13H2,(H,22,26).
What are the key properties of N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 166277796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).