2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

C18H22N4O — CID 91774888

IUPAC2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1cccnc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(12-16-2-1-7-20-13-16)21-17-5-10-22(11-6-17)14-15-3-8-19-9-4-15/h1-4,7-9,13,17H,5-6,10-12,14H2,(H,21,23)
InChIKeyXCRJSXCLERAOSD-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.80
Rot. Bonds5

About 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 91774888) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
PubChem CID91774888
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(Cc1cccnc1)NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(12-16-2-1-7-20-13-16)21-17-5-10-22(11-6-17)14-15-3-8-19-9-4-15/h1-4,7-9,13,17H,5-6,10-12,14H2,(H,21,23)
InChIKeyXCRJSXCLERAOSD-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
N-(1-benzylpiperidin-4-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 39895873
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55981043
4-[(2-pyridin-3-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 62689674
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide (CID 91774888) is 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is O=C(Cc1cccnc1)NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is XCRJSXCLERAOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(12-16-2-1-7-20-13-16)21-17-5-10-22(11-6-17)14-15-3-8-19-9-4-15/h1-4,7-9,13,17H,5-6,10-12,14H2,(H,21,23).
What are the key properties of 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide?
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91774888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).