N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid

C16H24N4O5 — CID 155972778

IUPACN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid
SMILESCn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O.O=CO
InChIInChI=1S/C15H22N4O3.CH2O2/c1-19-8-16-7-12(19)15(22)18-11-5-9(6-13(11)20)14(21)17-10-3-2-4-10;2-1-3/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22);1H,(H,2,3)/t9-,11-,13-;/m0./s1
InChIKeyFCBNLBURKVOUMS-FGRQNRTPSA-N
MW352.39 g/mol
LogP-0.34
Rot. Bonds4

About N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid

N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid (PubChem CID 155972778) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid.

Molecular Properties

Compound NameN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid
PubChem CID155972778
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC NameN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid
SMILESCn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O.O=CO
InChIInChI=1S/C15H22N4O3.CH2O2/c1-19-8-16-7-12(19)15(22)18-11-5-9(6-13(11)20)14(21)17-10-3-2-4-10;2-1-3/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22);1H,(H,2,3)/t9-,11-,13-;/m0./s1
InChIKeyFCBNLBURKVOUMS-FGRQNRTPSA-N
XLogP-0.34
TPSA133.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-[2-(bromomethyl)cyclopentyl]-3-methylimidazole-4-carboxamide
CID 106366597
N-[(1S,6S)-6-carbamoylcyclohex-3-en-1-yl]-3-methylimidazole-4-carboxamide
CID 164634186
N-[(3aR,5S,6S,7aS)-6-hydroxy-2-(2-thiophen-3-ylacetyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-3-methylimidazole-4-carboxamide
CID 172659521
4-fluoro-N-[(1R,2R,4S)-2-hydroxy-4-(oxan-4-ylcarbamoyl)cyclopentyl]-2-methoxybenzamide;formic acid
CID 163337923
(3,4-dimethylcyclohexyl)-(3-methylimidazol-4-yl)methanone
CID 82895467
2-ethyl-N-[(1S,2S,4S)-2-hydroxy-4-(pyridin-3-ylmethylcarbamoyl)cyclopentyl]pyrazole-3-carboxamide;formic acid
CID 155972954
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
CID 82895199
N-[cyano(cyclohexyl)methyl]-3-methylimidazole-4-carboxamide
CID 103510913
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid?
The IUPAC name of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid (CID 155972778) is N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid.
What is the SMILES notation for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid?
The canonical SMILES for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid is Cn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O.O=CO.
What is the InChIKey of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid?
The InChIKey is FCBNLBURKVOUMS-FGRQNRTPSA-N. The full InChI is InChI=1S/C15H22N4O3.CH2O2/c1-19-8-16-7-12(19)15(22)18-11-5-9(6-13(11)20)14(21)17-10-3-2-4-10;2-1-3/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22);1H,(H,2,3)/t9-,11-,13-;/m0./s1.
What are the key properties of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid?
N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid has a molecular weight of 352.39 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide;formic acid is sourced from PubChem (CID 155972778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).