N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide

C19H27N3O4 — CID 155917786

IUPACN-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C19H27N3O4/c1-25-17-12-14(19(24)21-15-6-10-26-11-7-15)2-3-16(17)22-18(23)13-4-8-20-9-5-13/h4-5,8-9,14-17H,2-3,6-7,10-12H2,1H3,(H,21,24)(H,22,23)/t14-,16+,17+/m0/s1
InChIKeyFQUSIYQXCJDGCR-USXIJHARSA-N
MW361.44 g/mol
LogP1.29
Rot. Bonds5

About N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide

N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide (PubChem CID 155917786) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
PubChem CID155917786
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
SMILESCO[C@@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C19H27N3O4/c1-25-17-12-14(19(24)21-15-6-10-26-11-7-15)2-3-16(17)22-18(23)13-4-8-20-9-5-13/h4-5,8-9,14-17H,2-3,6-7,10-12H2,1H3,(H,21,24)(H,22,23)/t14-,16+,17+/m0/s1
InChIKeyFQUSIYQXCJDGCR-USXIJHARSA-N
XLogP1.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-[[(1R,2R,4S)-4-(cyclobutylcarbamoyl)-2-methoxycyclohexyl]amino]-2-oxoethyl]benzamide
CID 155910427
N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 156584920
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
2-fluoro-N-[(1R,2R,4S)-2-methoxy-4-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
CID 155500637
(1S,3R,4R)-4-(oxan-4-ylamino)-3-propoxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 157018454
N-cyclopentylpyridine-4-carboxamide
CID 4212000
(1S,3S,4S)-N-cyclopropyl-3-methoxy-4-[4-(4-methoxyphenyl)butanoylamino]cyclohexane-1-carboxamide
CID 155491944
4-amino-3-methyl-N-(oxan-4-yl)cyclohexane-1-carboxamide
CID 62783524
N-cyclohexylpyridine-4-carboxamide
CID 3436730
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[(1R,2R,4S)-4-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]-3-hydroxypyridine-2-carboxamide
CID 157016597
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide (CID 155917786) is N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide is CO[C@@H]1C[C@@H](C(=O)NC2CCOCC2)CC[C@H]1NC(=O)c1ccncc1.
What is the InChIKey of N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
The InChIKey is FQUSIYQXCJDGCR-USXIJHARSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-17-12-14(19(24)21-15-6-10-26-11-7-15)2-3-16(17)22-18(23)13-4-8-20-9-5-13/h4-5,8-9,14-17H,2-3,6-7,10-12H2,1H3,(H,21,24)(H,22,23)/t14-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide?
N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 155917786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).