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

C15H22N4O3 — CID 155916997

IUPACN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O
InChIInChI=1S/C15H22N4O3/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/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22)/t9-,11-,13-/m0/s1
InChIKeyKNNBXICPKBMZIS-GAFUQQFSSA-N
MW306.37 g/mol
LogP-0.04
Rot. Bonds4

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

N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide (PubChem CID 155916997) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide
PubChem CID155916997
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O
InChIInChI=1S/C15H22N4O3/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/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22)/t9-,11-,13-/m0/s1
InChIKeyKNNBXICPKBMZIS-GAFUQQFSSA-N
XLogP-0.04
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide (CID 155916997) is N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)N[C@H]1C[C@H](C(=O)NC2CCC2)C[C@@H]1O.
What is the InChIKey of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide?
The InChIKey is KNNBXICPKBMZIS-GAFUQQFSSA-N. The full InChI is InChI=1S/C15H22N4O3/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/h7-11,13,20H,2-6H2,1H3,(H,17,21)(H,18,22)/t9-,11-,13-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide?
N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-4-(cyclobutylcarbamoyl)-2-hydroxycyclopentyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 155916997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).