1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C17H21N5O — CID 3590836

IUPAC1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3cccnc3)CC2)n1
InChIInChI=1S/C17H21N5O/c1-13-4-8-19-17(21-13)22-9-5-15(6-10-22)16(23)20-12-14-3-2-7-18-11-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,23)
InChIKeyJZKBEFAFKYADNS-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.71
Rot. Bonds4

About 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 3590836) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID3590836
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3cccnc3)CC2)n1
InChIInChI=1S/C17H21N5O/c1-13-4-8-19-17(21-13)22-9-5-15(6-10-22)16(23)20-12-14-3-2-7-18-11-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,23)
InChIKeyJZKBEFAFKYADNS-UHFFFAOYSA-N
XLogP1.71
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362
(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506834
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
(3S)-1-[1-[4-(ethylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95463438
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 3590836) is 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCc3cccnc3)CC2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JZKBEFAFKYADNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-4-8-19-17(21-13)22-9-5-15(6-10-22)16(23)20-12-14-3-2-7-18-11-14/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,23).
What are the key properties of 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3590836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).