N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

C22H28N4O3 — CID 92621735

IUPACN-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-14-20(15(2)29-25-14)22(28)26-11-9-16(10-12-26)19-8-7-17(13-23-19)21(27)24-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,24,27)
InChIKeyBROPDHNCIAOASZ-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.38
Rot. Bonds4

About N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 92621735) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID92621735
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1
InChIInChI=1S/C22H28N4O3/c1-14-20(15(2)29-25-14)22(28)26-11-9-16(10-12-26)19-8-7-17(13-23-19)21(27)24-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,24,27)
InChIKeyBROPDHNCIAOASZ-UHFFFAOYSA-N
XLogP3.38
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-[1-[2-(methanesulfonamido)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 92622486
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 30711914
N-cyclopentyl-6-[1-[3-(4-methylpiperidin-1-yl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 92621748
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 110264458
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
1-[5-[4-(5-cyano-2-pyridinyl)piperidine-1-carbonyl]-2-methylphenyl]-3-cyclopentylurea
CID 70872700
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110129273

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 92621735) is N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is Cc1noc(C)c1C(=O)N1CCC(c2ccc(C(=O)NC3CCCC3)cn2)CC1.
What is the InChIKey of N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is BROPDHNCIAOASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-20(15(2)29-25-14)22(28)26-11-9-16(10-12-26)19-8-7-17(13-23-19)21(27)24-18-5-3-4-6-18/h7-8,13,16,18H,3-6,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?
N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92621735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).