N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C13H18N4O2 — CID 121279712

IUPACN-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCn1cnc(C(=O)N2CCC(NC(=O)C3CC3)C2)c1
InChIInChI=1S/C13H18N4O2/c1-16-7-11(14-8-16)13(19)17-5-4-10(6-17)15-12(18)9-2-3-9/h7-10H,2-6H2,1H3,(H,15,18)
InChIKeyYTGCVAYBVUERAL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.16
Rot. Bonds3

About N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 121279712) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID121279712
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCn1cnc(C(=O)N2CCC(NC(=O)C3CC3)C2)c1
InChIInChI=1S/C13H18N4O2/c1-16-7-11(14-8-16)13(19)17-5-4-10(6-17)15-12(18)9-2-3-9/h7-10H,2-6H2,1H3,(H,15,18)
InChIKeyYTGCVAYBVUERAL-UHFFFAOYSA-N
XLogP0.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 121279712) is N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is Cn1cnc(C(=O)N2CCC(NC(=O)C3CC3)C2)c1.
What is the InChIKey of N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is YTGCVAYBVUERAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16-7-11(14-8-16)13(19)17-5-4-10(6-17)15-12(18)9-2-3-9/h7-10H,2-6H2,1H3,(H,15,18).
What are the key properties of N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazole-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 121279712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).