N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide

C19H25N3O — CID 113014992

IUPACN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-14(2)19(23)21-17-10-11-18(20-12-17)22(15(3)4)13-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H,21,23)
InChIKeyJOVYZILRKROTFN-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.09
Rot. Bonds6

About N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide (PubChem CID 113014992) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
PubChem CID113014992
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-14(2)19(23)21-17-10-11-18(20-12-17)22(15(3)4)13-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H,21,23)
InChIKeyJOVYZILRKROTFN-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113012566
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113015034
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide (CID 113014992) is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(N(Cc2ccccc2)C(C)C)nc1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is JOVYZILRKROTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(2)19(23)21-17-10-11-18(20-12-17)22(15(3)4)13-16-8-6-5-7-9-16/h5-12,14-15H,13H2,1-4H3,(H,21,23).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide?
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 311.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113014992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).