N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide

C24H26ClN7O2 — CID 21072746

IUPACN-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2cnc(N3CCCN(C)CC3)cn2)nc1
InChIInChI=1S/C24H26ClN7O2/c1-16-4-7-21(27-13-16)30-23(33)18-12-17(25)5-6-19(18)29-24(34)20-14-28-22(15-26-20)32-9-3-8-31(2)10-11-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,29,34)(H,27,30,33)
InChIKeyUTANXEGULQGKOM-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.48
Rot. Bonds5

About N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide

N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide (PubChem CID 21072746) has the molecular formula C24H26ClN7O2 and a molecular weight of 479.97 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
PubChem CID21072746
Molecular FormulaC24H26ClN7O2
Molecular Weight479.97 g/mol
Exact Mass479.18
IUPAC NameN-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2cnc(N3CCCN(C)CC3)cn2)nc1
InChIInChI=1S/C24H26ClN7O2/c1-16-4-7-21(27-13-16)30-23(33)18-12-17(25)5-6-19(18)29-24(34)20-14-28-22(15-26-20)32-9-3-8-31(2)10-11-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,29,34)(H,27,30,33)
InChIKeyUTANXEGULQGKOM-UHFFFAOYSA-N
XLogP3.48
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[5-[[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]carbamoyl]pyrazin-2-yl]-1,4-diazepane-1-carboxylate
CID 21072692
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
3-[[5-(4-acetyl-1,4-diazepan-1-yl)pyrazine-2-carbonyl]amino]-4-[(5-chloro-2-pyridinyl)carbamoyl]benzoic acid
CID 58780361
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzamide
CID 21075304
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278323
5-chloro-N-(5-methyl-2-pyridinyl)-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 59020840
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide (CID 21072746) is N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Cl)ccc2NC(=O)c2cnc(N3CCCN(C)CC3)cn2)nc1.
What is the InChIKey of N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The InChIKey is UTANXEGULQGKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O2/c1-16-4-7-21(27-13-16)30-23(33)18-12-17(25)5-6-19(18)29-24(34)20-14-28-22(15-26-20)32-9-3-8-31(2)10-11-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,29,34)(H,27,30,33).
What are the key properties of N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide?
N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide has a molecular weight of 479.97 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 21072746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).