4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

C18H22ClN3O — CID 109202969

IUPAC4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-11(2)10-21-18(23)16-9-14(5-6-20-16)22-17-13(4)7-12(3)8-15(17)19/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyRSIWJYWKSIXQLT-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.48
Rot. Bonds5

About 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide

4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109202969) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109202969
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cc(C)c(Nc2ccnc(C(=O)NCC(C)C)c2)c(Cl)c1
InChIInChI=1S/C18H22ClN3O/c1-11(2)10-21-18(23)16-9-14(5-6-20-16)22-17-13(4)7-12(3)8-15(17)19/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyRSIWJYWKSIXQLT-UHFFFAOYSA-N
XLogP4.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202996
4-(3-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109221343
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
4-(propan-2-ylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109201591
N-tert-butyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109216858
N-(2-chloro-4,6-dimethylphenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205952
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109202969) is 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is Cc1cc(C)c(Nc2ccnc(C(=O)NCC(C)C)c2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is RSIWJYWKSIXQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-11(2)10-21-18(23)16-9-14(5-6-20-16)22-17-13(4)7-12(3)8-15(17)19/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide?
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).