2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide

C14H22N4O — CID 115546016

IUPAC2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
SMILESNC(=O)c1cccc(NCCCN2CCCC2)c1N
InChIInChI=1S/C14H22N4O/c15-13-11(14(16)19)5-3-6-12(13)17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-10,15H2,(H2,16,19)
InChIKeyIACXNKZSPQWEQM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.27
Rot. Bonds6

About 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide

2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide (PubChem CID 115546016) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide.

Molecular Properties

Compound Name2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
PubChem CID115546016
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
SMILESNC(=O)c1cccc(NCCCN2CCCC2)c1N
InChIInChI=1S/C14H22N4O/c15-13-11(14(16)19)5-3-6-12(13)17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-10,15H2,(H2,16,19)
InChIKeyIACXNKZSPQWEQM-UHFFFAOYSA-N
XLogP1.27
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 115545405
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
methyl 2-amino-3-(3-morpholin-4-ylpropylamino)benzoate
CID 115544710
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
3-chloro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 104834468
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
1,4-diamino-5-(3-piperidin-1-ylpropylamino)anthracene-9,10-dione
CID 135182843

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide?
The IUPAC name of 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide (CID 115546016) is 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide.
What is the SMILES notation for 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide?
The canonical SMILES for 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide is NC(=O)c1cccc(NCCCN2CCCC2)c1N.
What is the InChIKey of 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide?
The InChIKey is IACXNKZSPQWEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-13-11(14(16)19)5-3-6-12(13)17-7-4-10-18-8-1-2-9-18/h3,5-6,17H,1-2,4,7-10,15H2,(H2,16,19).
What are the key properties of 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide?
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide is sourced from PubChem (CID 115546016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).