N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide

C16H27N3O — CID 109174998

IUPACN-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C16H27N3O/c1-6-10-19(11-7-2)14-12-13(8-9-17-14)15(20)18-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20)
InChIKeyGKCOEGAURZORPT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds6

About N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide

N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide (PubChem CID 109174998) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
PubChem CID109174998
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C16H27N3O/c1-6-10-19(11-7-2)14-12-13(8-9-17-14)15(20)18-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20)
InChIKeyGKCOEGAURZORPT-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109175957
N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide (CID 109174998) is N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NC(C)(C)C)ccn1.
What is the InChIKey of N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide?
The InChIKey is GKCOEGAURZORPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-10-19(11-7-2)14-12-13(8-9-17-14)15(20)18-16(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide?
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109174998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).