N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide

C24H25ClN6O3 — CID 10184349

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)c2ccc(N3CCCNCC3)nc2)c1
InChIInChI=1S/C24H25ClN6O3/c1-34-18-5-6-19(24(33)30-21-7-4-17(25)15-27-21)20(13-18)29-23(32)16-3-8-22(28-14-16)31-11-2-9-26-10-12-31/h3-8,13-15,26H,2,9-12H2,1H3,(H,29,32)(H,27,30,33)
InChIKeyUNXIHNURTNKGMB-UHFFFAOYSA-N
MW480.96 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide (PubChem CID 10184349) has the molecular formula C24H25ClN6O3 and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
PubChem CID10184349
Molecular FormulaC24H25ClN6O3
Molecular Weight480.96 g/mol
Exact Mass480.17
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)c2ccc(N3CCCNCC3)nc2)c1
InChIInChI=1S/C24H25ClN6O3/c1-34-18-5-6-19(24(33)30-21-7-4-17(25)15-27-21)20(13-18)29-23(32)16-3-8-22(28-14-16)31-11-2-9-26-10-12-31/h3-8,13-15,26H,2,9-12H2,1H3,(H,29,32)(H,27,30,33)
InChIKeyUNXIHNURTNKGMB-UHFFFAOYSA-N
XLogP3.44
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.96
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
CID 21072732
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
3-[[5-(4-acetyl-1,4-diazepan-1-yl)pyrazine-2-carbonyl]amino]-4-[(5-chloro-2-pyridinyl)carbamoyl]benzoic acid
CID 58780361
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]-5-(1,4-diazepan-1-yl)pyrimidine-2-carboxamide
CID 10183642
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide (CID 10184349) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(Cl)cn2)c(NC(=O)c2ccc(N3CCCNCC3)nc2)c1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
The InChIKey is UNXIHNURTNKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O3/c1-34-18-5-6-19(24(33)30-21-7-4-17(25)15-27-21)20(13-18)29-23(32)16-3-8-22(28-14-16)31-11-2-9-26-10-12-31/h3-8,13-15,26H,2,9-12H2,1H3,(H,29,32)(H,27,30,33).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide has a molecular weight of 480.96 g/mol, XLogP of 3.44, 6 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]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 10184349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).