N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide

C17H20N4O2 — CID 25295080

IUPACN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccccn1
InChIInChI=1S/C17H20N4O2/c22-14-6-4-10-21(12-14)16-13(5-3-9-19-16)11-20-17(23)15-7-1-2-8-18-15/h1-3,5,7-9,14,22H,4,6,10-12H2,(H,20,23)/t14-/m0/s1
InChIKeyCXVASPBEMZYGTN-AWEZNQCLSA-N
MW312.37 g/mol
LogP1.37
Rot. Bonds4

About N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide

N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 25295080) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID25295080
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccccn1
InChIInChI=1S/C17H20N4O2/c22-14-6-4-10-21(12-14)16-13(5-3-9-19-16)11-20-17(23)15-7-1-2-8-18-15/h1-3,5,7-9,14,22H,4,6,10-12H2,(H,20,23)/t14-/m0/s1
InChIKeyCXVASPBEMZYGTN-AWEZNQCLSA-N
XLogP1.37
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine-4,6-dicarboxylic acid bis-((pyridin-3-ylmethyl)-amide)
CID 5289111
6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 145964519
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11501253
[6-(6-Methyl-pyridin-3-ylamino)-pyridin-3-yl]-piperidin-1-yl-methanone
CID 23725592
2''-Ethylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901546
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67468176
5-fluoro-N-[6-[fluoro-(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide
CID 146420207
5-[[4-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyridine-2-carboxamide
CID 166635487
Pyridine-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 656032
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 30830326
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]pyrido[2,3-d]pyrimidin-4-one
CID 44410290

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 25295080) is N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccnc1N1CCC[C@H](O)C1)c1ccccn1.
What is the InChIKey of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is CXVASPBEMZYGTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-14-6-4-10-21(12-14)16-13(5-3-9-19-16)11-20-17(23)15-7-1-2-8-18-15/h1-3,5,7-9,14,22H,4,6,10-12H2,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 25295080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).