N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

C16H23N3O2 — CID 166241440

IUPACN-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]ccc1C(=O)N1CC[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C16H23N3O2/c1-10(2)14-13(5-7-17-14)16(21)19-8-6-12(9-19)18-15(20)11-3-4-11/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCGKYAFGXKZFSIB-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.88
Rot. Bonds4

About N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 166241440) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID166241440
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]ccc1C(=O)N1CC[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C16H23N3O2/c1-10(2)14-13(5-7-17-14)16(21)19-8-6-12(9-19)18-15(20)11-3-4-11/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyCGKYAFGXKZFSIB-LBPRGKRZSA-N
XLogP1.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-2-propan-2-yl-1H-pyrrole-3-carboxamide
CID 154740001
N-[(3S)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 95051653
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
N-[1-(2-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 103764046
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
N-[1-(6-fluoro-1H-indole-2-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 166323550
N-[1-[5-(1-methoxypropan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 121279562
3-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 121279749
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 166241440) is N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is CC(C)c1[nH]ccc1C(=O)N1CC[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is CGKYAFGXKZFSIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(2)14-13(5-7-17-14)16(21)19-8-6-12(9-19)18-15(20)11-3-4-11/h5,7,10-12,17H,3-4,6,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-propan-2-yl-1H-pyrrole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166241440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).