1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C22H24N6O — CID 133276362

IUPAC1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H24N6O/c1-16-12-20(27-21(26-16)19-5-3-9-24-15-19)28-10-6-18(7-11-28)22(29)25-14-17-4-2-8-23-13-17/h2-5,8-9,12-13,15,18H,6-7,10-11,14H2,1H3,(H,25,29)
InChIKeyYZEQFNKWXYKYIB-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.77
Rot. Bonds5

About 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133276362) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133276362
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C22H24N6O/c1-16-12-20(27-21(26-16)19-5-3-9-24-15-19)28-10-6-18(7-11-28)22(29)25-14-17-4-2-8-23-13-17/h2-5,8-9,12-13,15,18H,6-7,10-11,14H2,1H3,(H,25,29)
InChIKeyYZEQFNKWXYKYIB-UHFFFAOYSA-N
XLogP2.77
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 50960350
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356454
1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 29133526
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
2-[1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-yl]propan-1-ol
CID 167789936
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-(4-methyl-5-nitro-2-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133329016

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133276362) is 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)NCc3cccnc3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YZEQFNKWXYKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-12-20(27-21(26-16)19-5-3-9-24-15-19)28-10-6-18(7-11-28)22(29)25-14-17-4-2-8-23-13-17/h2-5,8-9,12-13,15,18H,6-7,10-11,14H2,1H3,(H,25,29).
What are the key properties of 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133276362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).