N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide

C16H23N3O2 — CID 71977538

IUPACN-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1(C(=O)NCC2CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c1-19-10-4-5-13(19)14(20)18-16(8-2-3-9-16)15(21)17-11-12-6-7-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyYSGHNEUYFFJWTA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds5

About N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide

N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71977538) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
PubChem CID71977538
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1(C(=O)NCC2CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c1-19-10-4-5-13(19)14(20)18-16(8-2-3-9-16)15(21)17-11-12-6-7-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,17,21)(H,18,20)
InChIKeyYSGHNEUYFFJWTA-UHFFFAOYSA-N
XLogP1.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide (CID 71977538) is N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1(C(=O)NCC2CC2)CCCC1.
What is the InChIKey of N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is YSGHNEUYFFJWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-19-10-4-5-13(19)14(20)18-16(8-2-3-9-16)15(21)17-11-12-6-7-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide?
N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethylcarbamoyl)cyclopentyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71977538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).