2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C19H22N4O2 — CID 92639808

IUPAC2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1
InChIInChI=1S/C19H22N4O2/c1-13-17(19(25)22-16-8-4-3-5-9-16)11-20-18(21-13)15-7-6-10-23(12-15)14(2)24/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeySNUJJZRWNLAYOC-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.76
Rot. Bonds3

About 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 92639808) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID92639808
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1
InChIInChI=1S/C19H22N4O2/c1-13-17(19(25)22-16-8-4-3-5-9-16)11-20-18(21-13)15-7-6-10-23(12-15)14(2)24/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeySNUJJZRWNLAYOC-HNNXBMFYSA-N
XLogP2.76
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
4-methyl-2-[(3S)-1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-N-phenylpyrimidine-5-carboxamide
CID 92639790
4-methyl-N-phenyl-2-(1-piperidin-1-ylsulfonylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110084678
2-[(3R)-1-[2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)acetyl]piperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 124974489
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
N-(4-chlorophenyl)-4-methyl-2-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92636399
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054
2-[1-(2-acetamidoacetyl)pyrrolidin-3-yl]-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088679
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 92639808) is 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is CC(=O)N1CCC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1.
What is the InChIKey of 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is SNUJJZRWNLAYOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-17(19(25)22-16-8-4-3-5-9-16)11-20-18(21-13)15-7-6-10-23(12-15)14(2)24/h3-5,8-9,11,15H,6-7,10,12H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).