N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide

C25H25Cl2N5O2 — CID 59108390

IUPACN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCN1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C25H25Cl2N5O2/c1-31-11-2-12-32(14-13-31)23-10-3-17(16-28-23)24(33)30-22-9-6-19(27)15-21(22)25(34)29-20-7-4-18(26)5-8-20/h3-10,15-16H,2,11-14H2,1H3,(H,29,34)(H,30,33)
InChIKeyOEFZWHUMQWCBNN-UHFFFAOYSA-N
MW498.41 g/mol
LogP5.03
Rot. Bonds5

About N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide

N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide (PubChem CID 59108390) has the molecular formula C25H25Cl2N5O2 and a molecular weight of 498.41 g/mol. Its IUPAC name is N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
PubChem CID59108390
Molecular FormulaC25H25Cl2N5O2
Molecular Weight498.41 g/mol
Exact Mass497.14
IUPAC NameN-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCN1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C25H25Cl2N5O2/c1-31-11-2-12-32(14-13-31)23-10-3-17(16-28-23)24(33)30-22-9-6-19(27)15-21(22)25(34)29-20-7-4-18(26)5-8-20/h3-10,15-16H,2,11-14H2,1H3,(H,29,34)(H,30,33)
InChIKeyOEFZWHUMQWCBNN-UHFFFAOYSA-N
XLogP5.03
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 21072746
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
6-(3-carbamoylpiperidin-1-yl)-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 59833333
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 21075304
5-hydroxy-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(4-methylphenyl)benzamide;methane
CID 157128108
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 25396665
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(3-chlorophenyl)-2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 118723665
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide (CID 59108390) is N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide is CN1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is OEFZWHUMQWCBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N5O2/c1-31-11-2-12-32(14-13-31)23-10-3-17(16-28-23)24(33)30-22-9-6-19(27)15-21(22)25(34)29-20-7-4-18(26)5-8-20/h3-10,15-16H,2,11-14H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide?
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 498.41 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59108390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).