N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide

C16H17Cl2N3O — CID 109203407

IUPACN-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)15-9-12(6-7-19-15)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCFLJMEDDTXKVPO-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.66
Rot. Bonds5

About N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide

N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide (PubChem CID 109203407) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
PubChem CID109203407
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccn1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)15-9-12(6-7-19-15)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCFLJMEDDTXKVPO-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109203420
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
4-anilino-N-butan-2-ylpyridine-2-carboxamide
CID 109203318
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-butan-2-yl-4-(2-tert-butylanilino)pyridine-2-carboxamide
CID 109203340
N-(2,4-dichlorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201663
N-butan-2-yl-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109203359
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
N-butan-2-yl-4-(butylamino)pyridine-2-carboxamide
CID 109202657
N-butan-2-yl-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109203369

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide (CID 109203407) is N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccn1.
What is the InChIKey of N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide?
The InChIKey is CFLJMEDDTXKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)15-9-12(6-7-19-15)21-14-5-4-11(17)8-13(14)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide?
N-butan-2-yl-4-(2,4-dichloroanilino)pyridine-2-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.66, 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-4-(2,4-dichloroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109203407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).