N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide

C18H24N6O2 — CID 167842655

IUPACN-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1n[nH]nc1C(=O)N1CCCC1)C1CCC(n2cccc2)CC1
InChIInChI=1S/C18H24N6O2/c25-17(13-5-7-14(8-6-13)23-9-1-2-10-23)19-16-15(20-22-21-16)18(26)24-11-3-4-12-24/h1-2,9-10,13-14H,3-8,11-12H2,(H2,19,20,21,22,25)
InChIKeyQZEKYLMDCAMIRE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.21
Rot. Bonds4

About N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide

N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 167842655) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID167842655
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESO=C(Nc1n[nH]nc1C(=O)N1CCCC1)C1CCC(n2cccc2)CC1
InChIInChI=1S/C18H24N6O2/c25-17(13-5-7-14(8-6-13)23-9-1-2-10-23)19-16-15(20-22-21-16)18(26)24-11-3-4-12-24/h1-2,9-10,13-14H,3-8,11-12H2,(H2,19,20,21,22,25)
InChIKeyQZEKYLMDCAMIRE-UHFFFAOYSA-N
XLogP2.21
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230701
2-(4-propan-2-ylphenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 166251123
N-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110475
3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide
CID 126799870
N-[3-(piperidine-1-carbonyl)-2H-pyrazolo[3,4-d][1,3]thiazol-5-yl]cyclopropanecarboxamide
CID 11602174
phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[4-[4-(piperidine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 66576093
[5-(3-chlorophenyl)-2H-triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 175649696
N-[4-(4-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]cyclopropanecarboxamide
CID 121110480
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185

Frequently Asked Questions

What is the IUPAC name of N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide (CID 167842655) is N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide is O=C(Nc1n[nH]nc1C(=O)N1CCCC1)C1CCC(n2cccc2)CC1.
What is the InChIKey of N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is QZEKYLMDCAMIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-17(13-5-7-14(8-6-13)23-9-1-2-10-23)19-16-15(20-22-21-16)18(26)24-11-3-4-12-24/h1-2,9-10,13-14H,3-8,11-12H2,(H2,19,20,21,22,25).
What are the key properties of N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide?
N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]-4-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 167842655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).