N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide

C19H23N5O4 — CID 162632393

IUPACN-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H23N5O4/c1-28-16-3-2-13(17(25)22-9-12-4-6-20-7-5-12)8-15(16)24-19(27)14-10-21-11-23-18(14)26/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3,(H,22,25)(H,24,27)(H,21,23,26)/t13-,15+,16+/m0/s1
InChIKeyYZYHLGZVXPIFHM-NUEKZKHPSA-N
MW385.42 g/mol
LogP0.39
Rot. Bonds6

About N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 162632393) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID162632393
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H23N5O4/c1-28-16-3-2-13(17(25)22-9-12-4-6-20-7-5-12)8-15(16)24-19(27)14-10-21-11-23-18(14)26/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3,(H,22,25)(H,24,27)(H,21,23,26)/t13-,15+,16+/m0/s1
InChIKeyYZYHLGZVXPIFHM-NUEKZKHPSA-N
XLogP0.39
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[(1R,2R,4S)-2-methoxy-4-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
CID 155500637
(1S,3R,4R)-3-[(3-cyanopyrazin-2-yl)amino]-4-methoxy-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 162637407
N-[(1R,2R,4S)-2-methoxy-4-(pyridin-3-ylmethylcarbamoyl)cyclohexyl]-2H-triazole-4-carboxamide
CID 162637213
N-[(1R,2R,5S)-2-methoxy-5-[(3-methoxyphenyl)methylcarbamoyl]cyclohexyl]-1H-pyrrole-3-carboxamide
CID 155918740
(1S,3R,4R)-N-[2-(1H-imidazol-5-yl)ethyl]-4-methoxy-3-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 157018626
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
methyl 3-[[(1S,3R,4R)-3-methoxy-4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexanecarbonyl]amino]propanoate
CID 157017891
4-N-[(2-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147996
5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78982237
N-[(4S)-4-methoxypyrrolidin-3-yl]-2-pyridin-4-ylacetamide
CID 43594044
(1S,3R,4R)-3-amino-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940425

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 162632393) is N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide is CO[C@@H]1CC[C@H](C(=O)NCc2ccncc2)C[C@H]1NC(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YZYHLGZVXPIFHM-NUEKZKHPSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-28-16-3-2-13(17(25)22-9-12-4-6-20-7-5-12)8-15(16)24-19(27)14-10-21-11-23-18(14)26/h4-7,10-11,13,15-16H,2-3,8-9H2,1H3,(H,22,25)(H,24,27)(H,21,23,26)/t13-,15+,16+/m0/s1.
What are the key properties of N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,5S)-2-methoxy-5-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162632393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).