4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

C22H22N4O2 — CID 109213605

IUPAC4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-20-11-13-23-21(15-20)22(28)24-12-10-17-6-3-2-4-7-17/h2-9,11,13-15H,10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFXCMMAOKRZGESU-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.76
Rot. Bonds7

About 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109213605) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109213605
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-20-11-13-23-21(15-20)22(28)24-12-10-17-6-3-2-4-7-17/h2-9,11,13-15H,10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyFXCMMAOKRZGESU-UHFFFAOYSA-N
XLogP3.76
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetamidoanilino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216656
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(3-acetamidoanilino)-N-(2-chlorophenyl)pyridine-2-carboxamide
CID 109220873
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109213605) is 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccnc(C(=O)NCCc3ccccc3)c2)c1.
What is the InChIKey of 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is FXCMMAOKRZGESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-20-11-13-23-21(15-20)22(28)24-12-10-17-6-3-2-4-7-17/h2-9,11,13-15H,10,12H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).