4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide

C25H27N5O3 — CID 110084560

IUPAC4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)CCn2ccccc2=O)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H27N5O3/c1-18-20(25(33)28-19-9-3-2-4-10-19)17-26-24(27-18)21-11-5-8-15-30(21)23(32)13-16-29-14-7-6-12-22(29)31/h2-4,6-7,9-10,12,14,17,21H,5,8,11,13,15-16H2,1H3,(H,28,33)
InChIKeyAJBSXIQLSNRNHX-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.34
Rot. Bonds6

About 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide

4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide (PubChem CID 110084560) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
PubChem CID110084560
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)CCn2ccccc2=O)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H27N5O3/c1-18-20(25(33)28-19-9-3-2-4-10-19)17-26-24(27-18)21-11-5-8-15-30(21)23(32)13-16-29-14-7-6-12-22(29)31/h2-4,6-7,9-10,12,14,17,21H,5,8,11,13,15-16H2,1H3,(H,28,33)
InChIKeyAJBSXIQLSNRNHX-UHFFFAOYSA-N
XLogP3.34
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide (CID 110084560) is 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)CCn2ccccc2=O)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is AJBSXIQLSNRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-18-20(25(33)28-19-9-3-2-4-10-19)17-26-24(27-18)21-11-5-8-15-30(21)23(32)13-16-29-14-7-6-12-22(29)31/h2-4,6-7,9-10,12,14,17,21H,5,8,11,13,15-16H2,1H3,(H,28,33).
What are the key properties of 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide?
4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[3-(2-oxo-1-pyridinyl)propanoyl]piperidin-2-yl]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).