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

C23H24ClN7O2 — CID 58780359

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCCNCC3)cn2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C23H24ClN7O2/c1-15-3-5-18(17(11-15)22(32)30-20-6-4-16(24)12-27-20)29-23(33)19-13-28-21(14-26-19)31-9-2-7-25-8-10-31/h3-6,11-14,25H,2,7-10H2,1H3,(H,29,33)(H,27,30,32)
InChIKeyZFQGMJLRLGAXIT-UHFFFAOYSA-N
MW465.95 g/mol
LogP3.14
Rot. Bonds5

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

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide (PubChem CID 58780359) has the molecular formula C23H24ClN7O2 and a molecular weight of 465.95 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
PubChem CID58780359
Molecular FormulaC23H24ClN7O2
Molecular Weight465.95 g/mol
Exact Mass465.17
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N3CCCNCC3)cn2)c(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C23H24ClN7O2/c1-15-3-5-18(17(11-15)22(32)30-20-6-4-16(24)12-27-20)29-23(33)19-13-28-21(14-26-19)31-9-2-7-25-8-10-31/h3-6,11-14,25H,2,7-10H2,1H3,(H,29,33)(H,27,30,32)
InChIKeyZFQGMJLRLGAXIT-UHFFFAOYSA-N
XLogP3.14
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.95
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 21072746
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
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-fluorophenyl]-5-(1,4-diazepan-1-yl)pyrimidine-2-carboxamide
CID 10183642
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 10184349
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]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
CID 21072732
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-4-methyl-2-(methylcarbamoylamino)benzamide
CID 142786847
5-chloro-2-[[(2Z,4E)-2,5-diamino-5-(1,4-diazepan-1-yl)penta-2,4-dienoyl]amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 142112036
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide (CID 58780359) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnc(N3CCCNCC3)cn2)c(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
The InChIKey is ZFQGMJLRLGAXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O2/c1-15-3-5-18(17(11-15)22(32)30-20-6-4-16(24)12-27-20)29-23(33)19-13-28-21(14-26-19)31-9-2-7-25-8-10-31/h3-6,11-14,25H,2,7-10H2,1H3,(H,29,33)(H,27,30,32).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide has a molecular weight of 465.95 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 58780359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).