4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

C16H17Cl2N3O — CID 109203600

IUPAC4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-11-7-8-19-14(9-11)16(22)21-15-12(17)5-4-6-13(15)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPVHFXYARBJGFGD-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.85
Rot. Bonds5

About 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide

4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (PubChem CID 109203600) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
PubChem CID109203600
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC Name4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccnc(C(=O)Nc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-11-7-8-19-14(9-11)16(22)21-15-12(17)5-4-6-13(15)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyPVHFXYARBJGFGD-UHFFFAOYSA-N
XLogP4.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(butan-2-ylamino)-N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 109203542
4-(butan-2-ylamino)-N-phenylpyridine-2-carboxamide
CID 109203508
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563
4-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109203446
4-(butan-2-ylamino)-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109203590
4-(butan-2-ylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202076
4-(2,6-dichloroanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217368
4-(butan-2-ylamino)-N-cyclohexylpyridine-2-carboxamide
CID 109203427
N-(2-chloro-6-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 66256413
4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
N-(2,6-dichlorophenyl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109220710
N-(2-chloro-4,6-dimethylphenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201606

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide (CID 109203600) is 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is CCC(C)Nc1ccnc(C(=O)Nc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
The InChIKey is PVHFXYARBJGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-3-10(2)20-11-7-8-19-14(9-11)16(22)21-15-12(17)5-4-6-13(15)18/h4-10H,3H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide?
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109203600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).