2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide

C25H21ClN4O2 — CID 59673700

IUPAC2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2NCc2ccccc2)cn1
InChIInChI=1S/C25H21ClN4O2/c1-32-23-12-10-19(16-29-23)30-25(31)20-11-9-18(24-21(26)8-5-13-27-24)14-22(20)28-15-17-6-3-2-4-7-17/h2-14,16,28H,15H2,1H3,(H,30,31)
InChIKeyDVBGMWGMDJKBET-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.67
Rot. Bonds7

About 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide

2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 59673700) has the molecular formula C25H21ClN4O2 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID59673700
Molecular FormulaC25H21ClN4O2
Molecular Weight444.92 g/mol
Exact Mass444.14
IUPAC Name2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2NCc2ccccc2)cn1
InChIInChI=1S/C25H21ClN4O2/c1-32-23-12-10-19(16-29-23)30-25(31)20-11-9-18(24-21(26)8-5-13-27-24)14-22(20)28-15-17-6-3-2-4-7-17/h2-14,16,28H,15H2,1H3,(H,30,31)
InChIKeyDVBGMWGMDJKBET-UHFFFAOYSA-N
XLogP5.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59781565
2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59673287
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 59672910
N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59673722
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
2-(ethylamino)-N-(6-methoxy-3-pyridinyl)benzamide
CID 62165993
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673620
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
2,5-dichloro-N-(6-methoxy-3-pyridinyl)pyridine-4-carboxamide
CID 114917038
methyl 4-(benzylamino)-6-methoxypyridine-3-carboxylate
CID 149198292
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide (CID 59673700) is 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2NCc2ccccc2)cn1.
What is the InChIKey of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is DVBGMWGMDJKBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2/c1-32-23-12-10-19(16-29-23)30-25(31)20-11-9-18(24-21(26)8-5-13-27-24)14-22(20)28-15-17-6-3-2-4-7-17/h2-14,16,28H,15H2,1H3,(H,30,31).
What are the key properties of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide?
2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 444.92 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 59673700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).