4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide

C16H26N4O — CID 63357141

IUPAC4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCN(C(C)C)C2)c1
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-6-12(10-20)9-19-15-8-13(16(21)18-3)4-5-14(15)17/h4-5,8,11-12,19H,6-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyNHDGTAZGVQYTCF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.77
Rot. Bonds5

About 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide

4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide (PubChem CID 63357141) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
PubChem CID63357141
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCC2CCN(C(C)C)C2)c1
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-6-12(10-20)9-19-15-8-13(16(21)18-3)4-5-14(15)17/h4-5,8,11-12,19H,6-7,9-10,17H2,1-3H3,(H,18,21)
InChIKeyNHDGTAZGVQYTCF-UHFFFAOYSA-N
XLogP1.77
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
CID 103590249
4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
2-chloro-5-methyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 115554823
4-bromo-3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 115770297
4-amino-3,5-difluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63185116
2-methoxy-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 63676271
2-amino-4-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 63109999
4-amino-3-[(4-ethylcyclohexyl)methylamino]benzoic acid
CID 82784863
2-oxo-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyridine-4-carboxamide
CID 103764726
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide (CID 63357141) is 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide is CNC(=O)c1ccc(N)c(NCC2CCN(C(C)C)C2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide?
The InChIKey is NHDGTAZGVQYTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)20-7-6-12(10-20)9-19-15-8-13(16(21)18-3)4-5-14(15)17/h4-5,8,11-12,19H,6-7,9-10,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide?
4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 63357141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).