N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide

C21H21N3O — CID 113016114

IUPACN-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c1-16-7-5-6-10-19(16)24-20-13-12-18(15-22-20)23-21(25)14-11-17-8-3-2-4-9-17/h2-10,12-13,15H,11,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyQRLILTNSFMZYDA-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.70
Rot. Bonds6

About N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide

N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 113016114) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID113016114
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C21H21N3O/c1-16-7-5-6-10-19(16)24-20-13-12-18(15-22-20)23-21(25)14-11-17-8-3-2-4-9-17/h2-10,12-13,15H,11,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyQRLILTNSFMZYDA-UHFFFAOYSA-N
XLogP4.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
2-(3-fluorophenyl)-N-[6-(2-methylanilino)-3-pyridinyl]acetamide
CID 113016132
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
N-[6-(2,3-dimethylanilino)-3-pyridinyl]pentanamide
CID 113017248
N-[5-(2-cyanoanilino)-2-pyridinyl]-3-phenylpropanamide
CID 113037072
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide (CID 113016114) is N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide is Cc1ccccc1Nc1ccc(NC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is QRLILTNSFMZYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-7-5-6-10-19(16)24-20-13-12-18(15-22-20)23-21(25)14-11-17-8-3-2-4-9-17/h2-10,12-13,15H,11,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide?
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113016114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).