N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide

C18H22ClN3O — CID 109181511

IUPACN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C18H22ClN3O/c1-5-13(4)21-18(23)16-7-6-14(10-20-16)22-17-12(3)8-11(2)9-15(17)19/h6-10,13,22H,5H2,1-4H3,(H,21,23)
InChIKeyNNYDYWLJGAYFMP-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.62
Rot. Bonds5

About N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide (PubChem CID 109181511) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
PubChem CID109181511
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(Nc2c(C)cc(C)cc2Cl)cn1
InChIInChI=1S/C18H22ClN3O/c1-5-13(4)21-18(23)16-7-6-14(10-20-16)22-17-12(3)8-11(2)9-15(17)19/h6-10,13,22H,5H2,1-4H3,(H,21,23)
InChIKeyNNYDYWLJGAYFMP-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
N-butan-2-yl-6-(2-chloro-4,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109362618
4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196351
N-butan-2-yl-5-(3-fluoroanilino)pyridine-2-carboxamide
CID 109181549
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
CID 112987182
4-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202969
N-butan-2-yl-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180426
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113033740

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide (CID 109181511) is N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(Nc2c(C)cc(C)cc2Cl)cn1.
What is the InChIKey of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide?
The InChIKey is NNYDYWLJGAYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-5-13(4)21-18(23)16-7-6-14(10-20-16)22-17-12(3)8-11(2)9-15(17)19/h6-10,13,22H,5H2,1-4H3,(H,21,23).
What are the key properties of N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide?
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109181511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).