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

C24H27N3O — CID 113015034

IUPACN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)nc2)c1
InChIInChI=1S/C24H27N3O/c1-18(2)27(17-20-9-5-4-6-10-20)23-13-12-22(16-25-23)26-24(28)15-21-11-7-8-19(3)14-21/h4-14,16,18H,15,17H2,1-3H3,(H,26,28)
InChIKeyGTYFGWCYIDSFOX-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.99
Rot. Bonds7

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

N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide (PubChem CID 113015034) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
PubChem CID113015034
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)nc2)c1
InChIInChI=1S/C24H27N3O/c1-18(2)27(17-20-9-5-4-6-10-20)23-13-12-22(16-25-23)26-24(28)15-21-11-7-8-19(3)14-21/h4-14,16,18H,15,17H2,1-3H3,(H,26,28)
InChIKeyGTYFGWCYIDSFOX-UHFFFAOYSA-N
XLogP4.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.99
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]-2-methylpropanamide
CID 113014992
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113013706
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018452
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
2-(3-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 113098761

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide (CID 113015034) is N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(N(Cc3ccccc3)C(C)C)nc2)c1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
The InChIKey is GTYFGWCYIDSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18(2)27(17-20-9-5-4-6-10-20)23-13-12-22(16-25-23)26-24(28)15-21-11-7-8-19(3)14-21/h4-14,16,18H,15,17H2,1-3H3,(H,26,28).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide?
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-(3-methylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 4.99, 7 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-(3-methylphenyl)acetamide is sourced from PubChem (CID 113015034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).