N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide

C16H19N3O — CID 70935310

IUPACN-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cccnc2)cn1)C(C)(C)C
InChIInChI=1S/C16H19N3O/c1-16(2,3)19(4)15(20)14-8-7-13(11-18-14)12-6-5-9-17-10-12/h5-11H,1-4H3
InChIKeyKBRINPXKZWOVBG-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.01
Rot. Bonds2

About N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide

N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 70935310) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
PubChem CID70935310
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2cccnc2)cn1)C(C)(C)C
InChIInChI=1S/C16H19N3O/c1-16(2,3)19(4)15(20)14-8-7-13(11-18-14)12-6-5-9-17-10-12/h5-11H,1-4H3
InChIKeyKBRINPXKZWOVBG-UHFFFAOYSA-N
XLogP3.01
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975203
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
tert-butyl-[2-methyl-3-[(5-pyridin-3-yl-2-pyridinyl)amino]propyl]carbamic acid
CID 155099140
1-ethyl-3-(5-pyridin-3-yl-2-pyridinyl)urea
CID 72712074
3-azulen-6-ylpyridine
CID 86232079
5-[4-[[acetyl(methyl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 164884738
N-(2-fluoro-4-pyridin-3-ylphenyl)-3,4,5-trimethoxy-N-methylbenzamide
CID 118708526
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
2-iodo-5-pyridin-3-ylpyridine
CID 46315910
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
CID 116975760

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide (CID 70935310) is N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide is CN(C(=O)c1ccc(-c2cccnc2)cn1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is KBRINPXKZWOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2,3)19(4)15(20)14-8-7-13(11-18-14)12-6-5-9-17-10-12/h5-11H,1-4H3.
What are the key properties of N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide?
N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 70935310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).