2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide

C19H24N4O2 — CID 99946846

IUPAC2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-20-12-16(19(25)22-14)18(24)21-13-17(15-8-4-2-5-9-15)23-10-6-3-7-11-23/h2,4-5,8-9,12,17H,3,6-7,10-11,13H2,1H3,(H,21,24)(H,20,22,25)/t17-/m1/s1
InChIKeyPLVMNVZVTALEAT-QGZVFWFLSA-N
MW340.43 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide

2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 99946846) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
PubChem CID99946846
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-20-12-16(19(25)22-14)18(24)21-13-17(15-8-4-2-5-9-15)23-10-6-3-7-11-23/h2,4-5,8-9,12,17H,3,6-7,10-11,13H2,1H3,(H,21,24)(H,20,22,25)/t17-/m1/s1
InChIKeyPLVMNVZVTALEAT-QGZVFWFLSA-N
XLogP2.04
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
N-[2-(azepan-1-yl)-2-phenylethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 118786582
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97124958
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72907580
N-[2-(4-fluorophenyl)-2-piperidin-1-ylethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72879927
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(azepan-1-yl)-2-phenylethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131895345
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide (CID 99946846) is 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NC[C@H](c2ccccc2)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is PLVMNVZVTALEAT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-20-12-16(19(25)22-14)18(24)21-13-17(15-8-4-2-5-9-15)23-10-6-3-7-11-23/h2,4-5,8-9,12,17H,3,6-7,10-11,13H2,1H3,(H,21,24)(H,20,22,25)/t17-/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide?
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 99946846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).