3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide

C24H24N6O2 — CID 24732608

IUPAC3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccnc(N2CCC(N(Cc3cccnc3)C(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C24H24N6O2/c1-32-22-7-11-27-24(28-22)29-12-8-21(9-13-29)30(17-19-5-3-10-26-16-19)23(31)20-6-2-4-18(14-20)15-25/h2-7,10-11,14,16,21H,8-9,12-13,17H2,1H3
InChIKeyMNJMLTVNOVWRBT-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.06
Rot. Bonds6

About 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide

3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 24732608) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID24732608
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCOc1ccnc(N2CCC(N(Cc3cccnc3)C(=O)c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C24H24N6O2/c1-32-22-7-11-27-24(28-22)29-12-8-21(9-13-29)30(17-19-5-3-10-26-16-19)23(31)20-6-2-4-18(14-20)15-25/h2-7,10-11,14,16,21H,8-9,12-13,17H2,1H3
InChIKeyMNJMLTVNOVWRBT-UHFFFAOYSA-N
XLogP3.06
TPSA95.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide with MolForge

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78852400
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
3-cyano-N-(2-methoxyethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 24732540
N-(2-methoxyethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-4-methylsulfonylbenzamide
CID 24732599
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 24731106
3-(3-acetylphenyl)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea
CID 24732225
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 24732587
N-(pyridin-3-ylmethyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 24732544
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
3-cyano-N-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)benzamide
CID 47091375
3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
CID 43563424
3-cyano-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 37484481

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 24732608) is 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide is COc1ccnc(N2CCC(N(Cc3cccnc3)C(=O)c3cccc(C#N)c3)CC2)n1.
What is the InChIKey of 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is MNJMLTVNOVWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-22-7-11-27-24(28-22)29-12-8-21(9-13-29)30(17-19-5-3-10-26-16-19)23(31)20-6-2-4-18(14-20)15-25/h2-7,10-11,14,16,21H,8-9,12-13,17H2,1H3.
What are the key properties of 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide?
3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 24732608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).