5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

C18H22ClN3O3 — CID 109181187

IUPAC5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCC(C)C)nc2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-11(2)9-21-18(23)14-6-5-12(10-20-14)22-15-8-16(24-3)13(19)7-17(15)25-4/h5-8,10-11,22H,9H2,1-4H3,(H,21,23)
InChIKeyXPXCVHGGCJKEFP-UHFFFAOYSA-N
MW363.85 g/mol
LogP3.88
Rot. Bonds7

About 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181187) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181187
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCOc1cc(Nc2ccc(C(=O)NCC(C)C)nc2)c(OC)cc1Cl
InChIInChI=1S/C18H22ClN3O3/c1-11(2)9-21-18(23)14-6-5-12(10-20-14)22-15-8-16(24-3)13(19)7-17(15)25-4/h5-8,10-11,22H,9H2,1-4H3,(H,21,23)
InChIKeyXPXCVHGGCJKEFP-UHFFFAOYSA-N
XLogP3.88
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
5-(4-chloro-2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187638
5-(butan-2-ylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109181762
5-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181135
5-(4-chloro-2-methoxy-5-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180413
5-(3-chloroanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181120
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
5-(4-ethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181136
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036885
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181187) is 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is COc1cc(Nc2ccc(C(=O)NCC(C)C)nc2)c(OC)cc1Cl.
What is the InChIKey of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is XPXCVHGGCJKEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-11(2)9-21-18(23)14-6-5-12(10-20-14)22-15-8-16(24-3)13(19)7-17(15)25-4/h5-8,10-11,22H,9H2,1-4H3,(H,21,23).
What are the key properties of 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).