N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide

C13H20ClN3O — CID 62171459

IUPACN-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-5-6-15-11-10(14)7-9(8-16-11)12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUVAZGQGNEJRHGG-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.09
Rot. Bonds4

About N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide

N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62171459) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
PubChem CID62171459
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)(C)C)cc1Cl
InChIInChI=1S/C13H20ClN3O/c1-5-6-15-11-10(14)7-9(8-16-11)12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyUVAZGQGNEJRHGG-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283572
5-chloro-N-methyl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55042480
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66355264
5-chloro-N-[1-(dimethylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 82949525
N-(2-bromophenyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62166024
5-chloro-N-methyl-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180209
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-6-(propylamino)pyridine-3-carboxamide
CID 65052981

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide (CID 62171459) is N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC(C)(C)C)cc1Cl.
What is the InChIKey of N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is UVAZGQGNEJRHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-5-6-15-11-10(14)7-9(8-16-11)12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide?
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62171459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).