4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide

C14H20ClN3O — CID 43640351

IUPAC4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
SMILESO=C(NCCCNC1CC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H20ClN3O/c15-10-8-13(18(9-10)12-4-5-12)14(19)17-7-1-6-16-11-2-3-11/h8-9,11-12,16H,1-7H2,(H,17,19)
InChIKeyKNMCKTUSQGDARV-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.35
Rot. Bonds7

About 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide

4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide (PubChem CID 43640351) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
PubChem CID43640351
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide
SMILESO=C(NCCCNC1CC1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C14H20ClN3O/c15-10-8-13(18(9-10)12-4-5-12)14(19)17-7-1-6-16-11-2-3-11/h8-9,11-12,16H,1-7H2,(H,17,19)
InChIKeyKNMCKTUSQGDARV-UHFFFAOYSA-N
XLogP2.35
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640281
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
4-chloro-1-cyclopropyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688095
4-chloro-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]pyrrole-2-carboxamide
CID 65114132
N-[(4-bromophenyl)methyl]-4-chloro-1-cyclopropylpyrrole-2-carboxamide
CID 61401000
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460
4-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81065103
4-chloro-1-cyclopropyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2-carboxamide
CID 61175104
4-chloro-1-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrole-2-carboxamide
CID 79252428
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
2-[(4-chloro-1-cyclopropylpyrrole-2-carbonyl)amino]-2-ethylbutanoic acid
CID 79806260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide (CID 43640351) is 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide is O=C(NCCCNC1CC1)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide?
The InChIKey is KNMCKTUSQGDARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-10-8-13(18(9-10)12-4-5-12)14(19)17-7-1-6-16-11-2-3-11/h8-9,11-12,16H,1-7H2,(H,17,19).
What are the key properties of 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-[3-(cyclopropylamino)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43640351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).