N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

C18H28N4O2 — CID 71937782

IUPACN-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H28N4O2/c1-21-12-4-8-15(21)16-9-5-13-22(16)18(24)19-11-10-17(23)20-14-6-2-3-7-14/h4,8,12,14,16H,2-3,5-7,9-11,13H2,1H3,(H,19,24)(H,20,23)
InChIKeyVATJVCOMYANFCI-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide

N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 71937782) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID71937782
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESCn1cccc1C1CCCN1C(=O)NCCC(=O)NC1CCCC1
InChIInChI=1S/C18H28N4O2/c1-21-12-4-8-15(21)16-9-5-13-22(16)18(24)19-11-10-17(23)20-14-6-2-3-7-14/h4,8,12,14,16H,2-3,5-7,9-11,13H2,1H3,(H,19,24)(H,20,23)
InChIKeyVATJVCOMYANFCI-UHFFFAOYSA-N
XLogP2.32
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
(2S)-N-[2-(4-fluorophenoxy)ethyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 97186286
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 51084405
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 94811192
N-[4-methyl-3-[[2-(1-methylpyrrol-2-yl)pyrrolidine-1-carbonyl]amino]phenyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 75656234
2-(1-methylpyrrol-2-yl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-1-carboxamide
CID 112837949
2-(1-methylpyrrol-2-yl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 55794667
(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 55797664
(5S)-5-[(2S)-2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]pyrrolidin-2-one
CID 95134113
2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxo-N-phenylacetamide
CID 96556355

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide (CID 71937782) is N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is Cn1cccc1C1CCCN1C(=O)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is VATJVCOMYANFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-12-4-8-15(21)16-9-5-13-22(16)18(24)19-11-10-17(23)20-14-6-2-3-7-14/h4,8,12,14,16H,2-3,5-7,9-11,13H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide?
N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)-3-oxopropyl]-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71937782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).