N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide

C11H15ClN2O — CID 81226013

IUPACN-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C11H15ClN2O/c1-7-5-9(12)8(6-13-7)10(15)14-11(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyFRWFSLNVTVIBTK-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.57
Rot. Bonds1

About N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide

N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide (PubChem CID 81226013) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
PubChem CID81226013
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)NC(C)(C)C)cn1
InChIInChI=1S/C11H15ClN2O/c1-7-5-9(12)8(6-13-7)10(15)14-11(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyFRWFSLNVTVIBTK-UHFFFAOYSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyanobutan-2-yl)-6-methylpyridine-3-carboxamide
CID 113347503
4-chloro-6-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 113461638
4-chloro-N-(4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81225292
tert-butyl (2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]propanoate
CID 103873980
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566
2-[[(4-chloro-6-methylpyridine-3-carbonyl)amino]methyl]-2-methylbutanoic acid
CID 114037129
4-chloro-6-methyl-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 81226891
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693
4-chloro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 103949111
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide (CID 81226013) is N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)NC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide?
The InChIKey is FRWFSLNVTVIBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-7-5-9(12)8(6-13-7)10(15)14-11(2,3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide?
N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide has a molecular weight of 226.71 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).