4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide

C18H23N3O — CID 119878034

IUPAC4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1cccc(CN(Cc2ccccn2)C(=O)CCCN)c1
InChIInChI=1S/C18H23N3O/c1-15-6-4-7-16(12-15)13-21(18(22)9-5-10-19)14-17-8-2-3-11-20-17/h2-4,6-8,11-12H,5,9-10,13-14,19H2,1H3
InChIKeySVYQCVHWZCOAEI-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.66
Rot. Bonds7

About 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide

4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 119878034) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
PubChem CID119878034
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
SMILESCc1cccc(CN(Cc2ccccn2)C(=O)CCCN)c1
InChIInChI=1S/C18H23N3O/c1-15-6-4-7-16(12-15)13-21(18(22)9-5-10-19)14-17-8-2-3-11-20-17/h2-4,6-8,11-12H,5,9-10,13-14,19H2,1H3
InChIKeySVYQCVHWZCOAEI-UHFFFAOYSA-N
XLogP2.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[(3-methylphenyl)methyl]-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 119878011
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
2-imidazol-1-yl-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 56788413
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005
ethyl 2-[(4-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]-2-oxoacetate
CID 169111911
3-[(3-methylphenyl)methyl-(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 120982668
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
3-methylsulfonyl-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 131892392
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
N-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 6487075
N-[(3,4-dichlorophenyl)methyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 60608120
[3-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248751

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide (CID 119878034) is 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide is Cc1cccc(CN(Cc2ccccn2)C(=O)CCCN)c1.
What is the InChIKey of 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is SVYQCVHWZCOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-15-6-4-7-16(12-15)13-21(18(22)9-5-10-19)14-17-8-2-3-11-20-17/h2-4,6-8,11-12H,5,9-10,13-14,19H2,1H3.
What are the key properties of 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide?
4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 297.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 119878034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).