N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide

C22H22N4O2 — CID 22668144

IUPACN-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1
InChIInChI=1S/C22H22N4O2/c23-19-7-1-2-8-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)9-3-5-16-6-4-14-24-15-16/h1-2,4,6-8,10-15H,3,5,9,23H2,(H,25,27)(H,26,28)
InChIKeyNFDPKDCKTPTMSE-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.88
Rot. Bonds7

About N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide

N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide (PubChem CID 22668144) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
PubChem CID22668144
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
SMILESNc1ccccc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1
InChIInChI=1S/C22H22N4O2/c23-19-7-1-2-8-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)9-3-5-16-6-4-14-24-15-16/h1-2,4,6-8,10-15H,3,5,9,23H2,(H,25,27)(H,26,28)
InChIKeyNFDPKDCKTPTMSE-UHFFFAOYSA-N
XLogP3.88
TPSA97.11 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 ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 139325488
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
N'-hydroxy-N-phenyloctanediamide;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 42601430
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-5-[4-(6-methyl-3-pyridinyl)butanoylamino]pyridine-2-carboxamide
CID 162492451
4-[4-[4-[2-(aminomethyl)cyclopropyl]anilino]-4-oxobutyl]-N-(2-aminophenyl)benzamide
CID 159868065
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
CID 139811841
N-(2-aminophenyl)-4-[[formyl(pyridin-3-ylmethoxy)amino]methyl]benzamide;hydrochloride
CID 87384192
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
(Z)-but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67401386

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide (CID 22668144) is N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide is Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCc2cccnc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
The InChIKey is NFDPKDCKTPTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-19-7-1-2-8-20(19)26-22(28)17-10-12-18(13-11-17)25-21(27)9-3-5-16-6-4-14-24-15-16/h1-2,4,6-8,10-15H,3,5,9,23H2,(H,25,27)(H,26,28).
What are the key properties of N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide?
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide is sourced from PubChem (CID 22668144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).