2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide

C22H25Cl2N5O4 — CID 74224446

IUPAC2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCNCC2)cc(Cl)n1
InChIInChI=1S/C22H25Cl2N5O4/c1-33-18-13-15(12-17(24)28-18)20(31)29-22(6-8-25-9-7-22)21(32)27-11-10-26-19(30)14-2-4-16(23)5-3-14/h2-5,12-13,25H,6-11H2,1H3,(H,26,30)(H,27,32)(H,29,31)
InChIKeyPDWFBZJRZUHSSW-UHFFFAOYSA-N
MW494.38 g/mol
LogP1.80
Rot. Bonds8

About 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide

2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide (PubChem CID 74224446) has the molecular formula C22H25Cl2N5O4 and a molecular weight of 494.38 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide
PubChem CID74224446
Molecular FormulaC22H25Cl2N5O4
Molecular Weight494.38 g/mol
Exact Mass493.13
IUPAC Name2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCNCC2)cc(Cl)n1
InChIInChI=1S/C22H25Cl2N5O4/c1-33-18-13-15(12-17(24)28-18)20(31)29-22(6-8-25-9-7-22)21(32)27-11-10-26-19(30)14-2-4-16(23)5-3-14/h2-5,12-13,25H,6-11H2,1H3,(H,26,30)(H,27,32)(H,29,31)
InChIKeyPDWFBZJRZUHSSW-UHFFFAOYSA-N
XLogP1.80
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.38
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(4,5-dimethylfuran-2-carbonyl)amino]piperidine-4-carboxamide
CID 3574681
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carboxamide
CID 3312919
N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 3676682
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]piperidine-4-carboxamide
CID 3865572
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[(E)-2-phenylethenyl]sulfanylacetyl]amino]piperidine-4-carboxamide
CID 74226084
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide
CID 74229224
2-chloro-N-[3-(dimethylamino)propyl]-6-methoxypyridine-4-carboxamide
CID 84580910
N-[2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-methoxybenzamide
CID 55878815
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
tert-butyl N-[[4-[[(2-chloro-6-methoxypyridine-4-carbonyl)amino]methyl]cyclohexyl]methyl]carbamate
CID 58002083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide (CID 74224446) is 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide is COc1cc(C(=O)NC2(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CCNCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide?
The InChIKey is PDWFBZJRZUHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O4/c1-33-18-13-15(12-17(24)28-18)20(31)29-22(6-8-25-9-7-22)21(32)27-11-10-26-19(30)14-2-4-16(23)5-3-14/h2-5,12-13,25H,6-11H2,1H3,(H,26,30)(H,27,32)(H,29,31).
What are the key properties of 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide?
2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide has a molecular weight of 494.38 g/mol, XLogP of 1.80, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-6-methoxypyridine-4-carboxamide is sourced from PubChem (CID 74224446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).