1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide

C15H22N4O2 — CID 43212141

IUPAC1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(NC(=O)CCN2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N4O2/c16-10-11-3-5-12(6-4-11)18-14(20)7-9-19-8-1-2-13(19)15(17)21/h3-6,13H,1-2,7-10,16H2,(H2,17,21)(H,18,20)
InChIKeyPBYCMHFMXNTPHP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.42
Rot. Bonds6

About 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide

1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide (PubChem CID 43212141) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
PubChem CID43212141
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
SMILESNCc1ccc(NC(=O)CCN2CCCC2C(N)=O)cc1
InChIInChI=1S/C15H22N4O2/c16-10-11-3-5-12(6-4-11)18-14(20)7-9-19-8-1-2-13(19)15(17)21/h3-6,13H,1-2,7-10,16H2,(H2,17,21)(H,18,20)
InChIKeyPBYCMHFMXNTPHP-UHFFFAOYSA-N
XLogP0.42
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
(2R)-1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 91836434
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
N-[3-(aminomethyl)phenyl]-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124242
N-[3-(aminomethyl)phenyl]-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407186
1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide (CID 43212141) is 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide is NCc1ccc(NC(=O)CCN2CCCC2C(N)=O)cc1.
What is the InChIKey of 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
The InChIKey is PBYCMHFMXNTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-10-11-3-5-12(6-4-11)18-14(20)7-9-19-8-1-2-13(19)15(17)21/h3-6,13H,1-2,7-10,16H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide?
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43212141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).