N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C19H22N2O3 — CID 42440790

IUPACN-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NC1CCCC1
InChIInChI=1S/C19H22N2O3/c1-21-12-18(24-13-14-7-3-2-4-8-14)17(22)11-16(21)19(23)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,20,23)
InChIKeySJMHFTDKVPWTGA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.64
Rot. Bonds5

About N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440790) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440790
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)NC1CCCC1
InChIInChI=1S/C19H22N2O3/c1-21-12-18(24-13-14-7-3-2-4-8-14)17(22)11-16(21)19(23)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,20,23)
InChIKeySJMHFTDKVPWTGA-UHFFFAOYSA-N
XLogP2.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440790) is N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is SJMHFTDKVPWTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21-12-18(24-13-14-7-3-2-4-8-14)17(22)11-16(21)19(23)20-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).