2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C23H25N5O — CID 109259132

IUPAC2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N5O/c29-22(25-15-20-6-10-24-11-7-20)21-16-26-23(27-17-21)28-12-8-19(9-13-28)14-18-4-2-1-3-5-18/h1-7,10-11,16-17,19H,8-9,12-15H2,(H,25,29)
InChIKeyLCSSAMJSDFWVLH-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109259132) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109259132
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1ccncc1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H25N5O/c29-22(25-15-20-6-10-24-11-7-20)21-16-26-23(27-17-21)28-12-8-19(9-13-28)14-18-4-2-1-3-5-18/h1-7,10-11,16-17,19H,8-9,12-15H2,(H,25,29)
InChIKeyLCSSAMJSDFWVLH-UHFFFAOYSA-N
XLogP3.26
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247732
N-(pyridin-4-ylmethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249408
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-(4-benzylpiperidin-1-yl)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252740
2-(4-formylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109254470
2-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109264116
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
N-benzyl-2-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255242
2-(4-acetylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109254754
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 109259132) is 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1ccncc1)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is LCSSAMJSDFWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-22(25-15-20-6-10-24-11-7-20)21-16-26-23(27-17-21)28-12-8-19(9-13-28)14-18-4-2-1-3-5-18/h1-7,10-11,16-17,19H,8-9,12-15H2,(H,25,29).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).