3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide

C22H33N3O3 — CID 155918781

IUPAC3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1ncccc1C
InChIInChI=1S/C22H33N3O3/c1-3-14-28-19-10-9-17(22(27)25-12-5-4-6-13-25)15-18(19)24-21(26)20-16(2)8-7-11-23-20/h7-8,11,17-19H,3-6,9-10,12-15H2,1-2H3,(H,24,26)/t17-,18+,19+/m0/s1
InChIKeyRMFGRRWTQBTVHM-IPMKNSEASA-N
MW387.52 g/mol
LogP3.10
Rot. Bonds6

About 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide

3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide (PubChem CID 155918781) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide
PubChem CID155918781
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide
SMILESCCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1ncccc1C
InChIInChI=1S/C22H33N3O3/c1-3-14-28-19-10-9-17(22(27)25-12-5-4-6-13-25)15-18(19)24-21(26)20-16(2)8-7-11-23-20/h7-8,11,17-19H,3-6,9-10,12-15H2,1-2H3,(H,24,26)/t17-,18+,19+/m0/s1
InChIKeyRMFGRRWTQBTVHM-IPMKNSEASA-N
XLogP3.10
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155914685
N-[(1R,2R,4S)-4-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]-3-hydroxypyridine-2-carboxamide
CID 157016597
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155917918
1-[(1S,3R,4R)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-4-propoxycyclohexanecarbonyl]piperidine-4-carboxamide
CID 162633468
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
(1S,3R,4R)-3-[(1-methylpiperidin-4-yl)amino]-N-[(3-methyl-4-pyridinyl)methyl]-4-propoxycyclohexane-1-carboxamide
CID 157012705
3-methyl-N-(2-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 106995373
cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872697
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide (CID 155918781) is 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide is CCCO[C@@H]1CC[C@H](C(=O)N2CCCCC2)C[C@H]1NC(=O)c1ncccc1C.
What is the InChIKey of 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide?
The InChIKey is RMFGRRWTQBTVHM-IPMKNSEASA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-14-28-19-10-9-17(22(27)25-12-5-4-6-13-25)15-18(19)24-21(26)20-16(2)8-7-11-23-20/h7-8,11,17-19H,3-6,9-10,12-15H2,1-2H3,(H,24,26)/t17-,18+,19+/m0/s1.
What are the key properties of 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide?
3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 155918781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).