3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide

C18H24N4O — CID 56760437

IUPAC3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(19)11-17(23)21-12-16-9-6-10-20-18(16)22(2)13-15-7-4-3-5-8-15/h3-10,14H,11-13,19H2,1-2H3,(H,21,23)
InChIKeyTVQQDTSBAKZFKD-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.07
Rot. Bonds7

About 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide

3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide (PubChem CID 56760437) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
PubChem CID56760437
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1cccnc1N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-14(19)11-17(23)21-12-16-9-6-10-20-18(16)22(2)13-15-7-4-3-5-8-15/h3-10,14H,11-13,19H2,1-2H3,(H,21,23)
InChIKeyTVQQDTSBAKZFKD-UHFFFAOYSA-N
XLogP2.07
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 42147194
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 55692566
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 42594163
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 25303205

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide (CID 56760437) is 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide is CC(N)CC(=O)NCc1cccnc1N(C)Cc1ccccc1.
What is the InChIKey of 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide?
The InChIKey is TVQQDTSBAKZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(19)11-17(23)21-12-16-9-6-10-20-18(16)22(2)13-15-7-4-3-5-8-15/h3-10,14H,11-13,19H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide?
3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide has a molecular weight of 312.42 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56760437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).