N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide

C21H27N5O2 — CID 72934817

IUPACN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCn1ccnc1C(NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C1CC1
InChIInChI=1S/C21H27N5O2/c1-26-12-11-22-19(26)18(14-9-10-14)25-21(28)24-17-8-4-7-16(13-17)23-20(27)15-5-2-3-6-15/h4,7-8,11-15,18H,2-3,5-6,9-10H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyFKCGKASRAOEAEH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.82
Rot. Bonds6

About N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide

N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide (PubChem CID 72934817) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
PubChem CID72934817
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCn1ccnc1C(NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C1CC1
InChIInChI=1S/C21H27N5O2/c1-26-12-11-22-19(26)18(14-9-10-14)25-21(28)24-17-8-4-7-16(13-17)23-20(27)15-5-2-3-6-15/h4,7-8,11-15,18H,2-3,5-6,9-10H2,1H3,(H,23,27)(H2,24,25,28)
InChIKeyFKCGKASRAOEAEH-UHFFFAOYSA-N
XLogP3.82
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
CID 118793287
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
CID 125162292
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
1-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-(3-nitrophenyl)urea
CID 42962122
N-[3-[[(1S)-1-pyridin-2-ylethyl]amino]phenyl]cyclohexanecarboxamide
CID 124614551
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
N-[3-[[(2R)-2-(azepan-1-yl)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 95352627
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365

Frequently Asked Questions

What is the IUPAC name of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide (CID 72934817) is N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide is Cn1ccnc1C(NC(=O)Nc1cccc(NC(=O)C2CCCC2)c1)C1CC1.
What is the InChIKey of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide?
The InChIKey is FKCGKASRAOEAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-26-12-11-22-19(26)18(14-9-10-14)25-21(28)24-17-8-4-7-16(13-17)23-20(27)15-5-2-3-6-15/h4,7-8,11-15,18H,2-3,5-6,9-10H2,1H3,(H,23,27)(H2,24,25,28).
What are the key properties of N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide?
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 72934817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).