N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide

C16H24N4O — CID 128771647

IUPACN-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C16H24N4O/c21-16(19-11-15-5-1-2-7-18-15)20-9-3-4-14(12-20)13-6-8-17-10-13/h1-2,5,7,13-14,17H,3-4,6,8-12H2,(H,19,21)
InChIKeyHTMCKXOYARXMJO-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.61
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide

N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide (PubChem CID 128771647) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
PubChem CID128771647
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
SMILESO=C(NCc1ccccn1)N1CCCC(C2CCNC2)C1
InChIInChI=1S/C16H24N4O/c21-16(19-11-15-5-1-2-7-18-15)20-9-3-4-14(12-20)13-6-8-17-10-13/h1-2,5,7,13-14,17H,3-4,6,8-12H2,(H,19,21)
InChIKeyHTMCKXOYARXMJO-UHFFFAOYSA-N
XLogP1.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
(3R)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3,4-thiadiazol-2-yl)piperidine-1,3-dicarboxamide
CID 95636192
N'-methyl-N-(pyridin-2-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442138
2-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]pyridine-4-carboxylic acid
CID 115560835
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 154865644
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide (CID 128771647) is N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide is O=C(NCc1ccccn1)N1CCCC(C2CCNC2)C1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide?
The InChIKey is HTMCKXOYARXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16(19-11-15-5-1-2-7-18-15)20-9-3-4-14(12-20)13-6-8-17-10-13/h1-2,5,7,13-14,17H,3-4,6,8-12H2,(H,19,21).
What are the key properties of N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide?
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 128771647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).