N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide

C19H30N4O3 — CID 157019160

IUPACN-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[C@H]1NC(=O)c1cccc(C)n1
InChIInChI=1S/C19H30N4O3/c1-13-6-5-7-15(21-13)19(25)22-16-12-14(8-9-17(16)26-4)18(24)20-10-11-23(2)3/h5-7,14,16-17H,8-12H2,1-4H3,(H,20,24)(H,22,25)/t14-,16+,17+/m0/s1
InChIKeyDXXITKHYPDGGEM-USXIJHARSA-N
MW362.47 g/mol
LogP0.98
Rot. Bonds7

About N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide

N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide (PubChem CID 157019160) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide
PubChem CID157019160
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC NameN-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[C@H]1NC(=O)c1cccc(C)n1
InChIInChI=1S/C19H30N4O3/c1-13-6-5-7-15(21-13)19(25)22-16-12-14(8-9-17(16)26-4)18(24)20-10-11-23(2)3/h5-7,14,16-17H,8-12H2,1-4H3,(H,20,24)(H,22,25)/t14-,16+,17+/m0/s1
InChIKeyDXXITKHYPDGGEM-USXIJHARSA-N
XLogP0.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide with MolForge

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Related Compounds

(1S,3R,4R)-N-[2-(dimethylamino)ethyl]-4-methoxy-3-[(2-phenoxyacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 155972267
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
6-(dimethylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 84575014
N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 139013357
N-[2-(dimethylamino)ethyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095413
N-(2-methoxycyclopentyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240332
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
N-[(1R,2R,5S)-2-methoxy-5-[(3-methoxyphenyl)methylcarbamoyl]cyclohexyl]-1H-pyrrole-3-carboxamide
CID 155918740
(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 154816431
6-N-cycloheptyl-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096549
6-[4-[2-(dimethylamino)ethylcarbamoyl]piperidin-1-yl]-N-(2-phenoxyethyl)pyridine-2-carboxamide
CID 101365996

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide (CID 157019160) is N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide is CO[C@@H]1CC[C@H](C(=O)NCCN(C)C)C[C@H]1NC(=O)c1cccc(C)n1.
What is the InChIKey of N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide?
The InChIKey is DXXITKHYPDGGEM-USXIJHARSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-13-6-5-7-15(21-13)19(25)22-16-12-14(8-9-17(16)26-4)18(24)20-10-11-23(2)3/h5-7,14,16-17H,8-12H2,1-4H3,(H,20,24)(H,22,25)/t14-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide?
N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-5-[2-(dimethylamino)ethylcarbamoyl]-2-methoxycyclohexyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 157019160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).