2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide

C53H45ClN8O4 — CID 160614519

IUPAC2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C27H24N4O2.C26H21ClN4O2/c1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
InChIKeyRFXKLNRHDATUBH-UHFFFAOYSA-N
MW893.45 g/mol
LogP10.39
Rot. Bonds12

About 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide

2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 160614519) has the molecular formula C53H45ClN8O4 and a molecular weight of 893.45 g/mol. Its IUPAC name is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID160614519
Molecular FormulaC53H45ClN8O4
Molecular Weight893.45 g/mol
Exact Mass892.33
IUPAC Name2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C27H24N4O2.C26H21ClN4O2/c1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33)
InChIKeyRFXKLNRHDATUBH-UHFFFAOYSA-N
XLogP10.39
TPSA194.22 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500893.45
LogP ≤ 510.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
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N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
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2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
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CID 3419265
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
4-(2-cyanophenyl)-2-methyl-N-[2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide;ethane
CID 91087016
2-[[4-[N-(2-aminoethyl)-N-butylcarbamimidoyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide
CID 59639397
N-(2-acetylphenyl)-4-phenylbenzamide;5-chloro-2-methylpyridine;ethane
CID 142005093
5-chloro-2-[[4-[[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]methyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 71132806
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide (CID 160614519) is 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(-c3ccc(CN)cc3)cc2)nc1.NCc1ccccc1-c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is RFXKLNRHDATUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2.C26H21ClN4O2/c1-18-6-15-25(29-17-18)31-27(33)23-4-2-3-5-24(23)30-26(32)22-13-11-21(12-14-22)20-9-7-19(16-28)8-10-20;27-20-13-14-24(29-16-20)31-26(33)22-7-3-4-8-23(22)30-25(32)18-11-9-17(10-12-18)21-6-2-1-5-19(21)15-28/h2-15,17H,16,28H2,1H3,(H,30,32)(H,29,31,33);1-14,16H,15,28H2,(H,30,32)(H,29,31,33).
What are the key properties of 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide?
2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 893.45 g/mol, XLogP of 10.39, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(aminomethyl)phenyl]benzoyl]amino]-N-(5-chloro-2-pyridinyl)benzamide;2-[[4-[4-(aminomethyl)phenyl]benzoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 160614519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).