N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

C28H30N4O4 — CID 55791693

IUPACN-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C28H30N4O4/c1-18-12-19(2)14-22(13-18)28(35)32-11-5-7-21(17-32)27(34)30-23-8-9-24(25(15-23)36-3)31-26(33)20-6-4-10-29-16-20/h4,6,8-10,12-16,21H,5,7,11,17H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyTYJBGBRYTVQTFH-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 55791693) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID55791693
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC NameN-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C28H30N4O4/c1-18-12-19(2)14-22(13-18)28(35)32-11-5-7-21(17-32)27(34)30-23-8-9-24(25(15-23)36-3)31-26(33)20-6-4-10-29-16-20/h4,6,8-10,12-16,21H,5,7,11,17H2,1-3H3,(H,30,34)(H,31,33)
InChIKeyTYJBGBRYTVQTFH-UHFFFAOYSA-N
XLogP4.45
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55671213
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
(3S)-1-(3,5-dimethylbenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94082813
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
1-(3,5-dimethylbenzoyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]piperidine-3-carboxamide
CID 55828569
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845818
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087666
(3S)-N-(4-bromo-3-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082833
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-(3,5-dimethylbenzoyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 55823393
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 55791693) is N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)C2CCCN(C(=O)c3cc(C)cc(C)c3)C2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is TYJBGBRYTVQTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-18-12-19(2)14-22(13-18)28(35)32-11-5-7-21(17-32)27(34)30-23-8-9-24(25(15-23)36-3)31-26(33)20-6-4-10-29-16-20/h4,6,8-10,12-16,21H,5,7,11,17H2,1-3H3,(H,30,34)(H,31,33).
What are the key properties of N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55791693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).