4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide

C23H25N5O — CID 95096725

IUPAC4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccnc(N3CCCCC3)n2)cc1)c1cccnc1
InChIInChI=1S/C23H25N5O/c1-17(20-6-5-12-24-16-20)26-22(29)19-9-7-18(8-10-19)21-11-13-25-23(27-21)28-14-3-2-4-15-28/h5-13,16-17H,2-4,14-15H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyFICFUJDHNDCZBA-KRWDZBQOSA-N
MW387.49 g/mol
LogP4.02
Rot. Bonds5

About 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide

4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide (PubChem CID 95096725) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
PubChem CID95096725
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccnc(N3CCCCC3)n2)cc1)c1cccnc1
InChIInChI=1S/C23H25N5O/c1-17(20-6-5-12-24-16-20)26-22(29)19-9-7-18(8-10-19)21-11-13-25-23(27-21)28-14-3-2-4-15-28/h5-13,16-17H,2-4,14-15H2,1H3,(H,26,29)/t17-/m0/s1
InChIKeyFICFUJDHNDCZBA-KRWDZBQOSA-N
XLogP4.02
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 94172656
1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine
CID 82021930
1-[4-[2-(azepan-1-yl)pyrimidin-4-yl]phenyl]ethanamine;hydrochloride
CID 82021929
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
3-(4-methylphenyl)-4-oxo-N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 95063766
3-(4-methylphenyl)-4-oxo-N-(1-pyridin-3-ylethyl)-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 53052384
4-chloro-N-(1-pyridin-3-ylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18162991
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The IUPAC name of 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide (CID 95096725) is 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide is C[C@H](NC(=O)c1ccc(-c2ccnc(N3CCCCC3)n2)cc1)c1cccnc1.
What is the InChIKey of 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
The InChIKey is FICFUJDHNDCZBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17(20-6-5-12-24-16-20)26-22(29)19-9-7-18(8-10-19)21-11-13-25-23(27-21)28-14-3-2-4-15-28/h5-13,16-17H,2-4,14-15H2,1H3,(H,26,29)/t17-/m0/s1.
What are the key properties of 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide?
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide has a molecular weight of 387.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[(1S)-1-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 95096725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).