2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide

C16H27N3O — CID 62322495

IUPAC2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCc1cccc(C)n1
InChIInChI=1S/C16H27N3O/c1-4-9-16(12-17,10-5-2)15(20)18-11-14-8-6-7-13(3)19-14/h6-8H,4-5,9-12,17H2,1-3H3,(H,18,20)
InChIKeyGTRSNWCLVGCWDO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.55
Rot. Bonds8

About 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide

2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide (PubChem CID 62322495) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide
PubChem CID62322495
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)NCc1cccc(C)n1
InChIInChI=1S/C16H27N3O/c1-4-9-16(12-17,10-5-2)15(20)18-11-14-8-6-7-13(3)19-14/h6-8H,4-5,9-12,17H2,1-3H3,(H,18,20)
InChIKeyGTRSNWCLVGCWDO-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 76939036
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
CID 86824305
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide (CID 62322495) is 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide is CCCC(CN)(CCC)C(=O)NCc1cccc(C)n1.
What is the InChIKey of 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide?
The InChIKey is GTRSNWCLVGCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-16(12-17,10-5-2)15(20)18-11-14-8-6-7-13(3)19-14/h6-8H,4-5,9-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide?
2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide has a molecular weight of 277.41 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 62322495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).