N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide

C20H18N4O2 — CID 113035126

IUPACN-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)22-16-8-5-9-17(12-16)23-18-10-11-19(21-13-18)24-20(26)15-6-3-2-4-7-15/h2-13,23H,1H3,(H,22,25)(H,21,24,26)
InChIKeyBZVBQBDSPRDDTQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.04
Rot. Bonds5

About N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide

N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide (PubChem CID 113035126) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
PubChem CID113035126
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3)nc2)c1
InChIInChI=1S/C20H18N4O2/c1-14(25)22-16-8-5-9-17(12-16)23-18-10-11-19(21-13-18)24-20(26)15-6-3-2-4-7-15/h2-13,23H,1H3,(H,22,25)(H,21,24,26)
InChIKeyBZVBQBDSPRDDTQ-UHFFFAOYSA-N
XLogP4.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-(3-acetylanilino)-2-pyridinyl]-4-chlorobenzamide
CID 113034983
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035163
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide (CID 113035126) is N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)c3ccccc3)nc2)c1.
What is the InChIKey of N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide?
The InChIKey is BZVBQBDSPRDDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(25)22-16-8-5-9-17(12-16)23-18-10-11-19(21-13-18)24-20(26)15-6-3-2-4-7-15/h2-13,23H,1H3,(H,22,25)(H,21,24,26).
What are the key properties of N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide?
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113035126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).