6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

C21H21N3O — CID 1441265

IUPAC6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H21N3O/c1-16-7-10-19(11-8-16)24-20-12-9-18(15-23-20)21(25)22-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyMKKBIFXSOIDZCG-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.11
Rot. Bonds6

About 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide

6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 1441265) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID1441265
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1
InChIInChI=1S/C21H21N3O/c1-16-7-10-19(11-8-16)24-20-12-9-18(15-23-20)21(25)22-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyMKKBIFXSOIDZCG-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
N-[2-(2-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109158821
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864
6-(2-methoxy-5-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158318
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
CID 109159783
N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide (CID 1441265) is 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)NCCc3ccccc3)cn2)cc1.
What is the InChIKey of 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is MKKBIFXSOIDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-7-10-19(11-8-16)24-20-12-9-18(15-23-20)21(25)22-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide?
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1441265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).