N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide

C16H25N3O — CID 62180024

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCN(C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-3-9-17-15-6-4-14(5-7-15)16(20)18-11-13-8-10-19(2)12-13/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyLWDYCGBOAGJMMU-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds6

About N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide

N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide (PubChem CID 62180024) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
PubChem CID62180024
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
SMILESCCCNc1ccc(C(=O)NCC2CCN(C)C2)cc1
InChIInChI=1S/C16H25N3O/c1-3-9-17-15-6-4-14(5-7-15)16(20)18-11-13-8-10-19(2)12-13/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyLWDYCGBOAGJMMU-UHFFFAOYSA-N
XLogP2.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-4-(propylamino)benzamide
CID 62170357
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
N-(cyclopropylmethyl)-4-(ethylamino)benzamide
CID 62173113
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-[(2-methylcyclohexyl)methyl]-4-(propylamino)benzamide
CID 62181510
N-(2-cyclohexylethyl)-4-(propylamino)benzamide
CID 62180221
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895373
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide (CID 62180024) is N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide is CCCNc1ccc(C(=O)NCC2CCN(C)C2)cc1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide?
The InChIKey is LWDYCGBOAGJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-17-15-6-4-14(5-7-15)16(20)18-11-13-8-10-19(2)12-13/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide is sourced from PubChem (CID 62180024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).