4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide

C14H23N3O — CID 109202921

IUPAC4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10(2)9-16-13(18)12-8-11(6-7-15-12)17-14(3,4)5/h6-8,10H,9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyFLZBMFDBVUDCMQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds4

About 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide

4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109202921) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109202921
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1cc(NC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10(2)9-16-13(18)12-8-11(6-7-15-12)17-14(3,4)5/h6-8,10H,9H2,1-5H3,(H,15,17)(H,16,18)
InChIKeyFLZBMFDBVUDCMQ-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
6-(tert-butylamino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340453
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-(ethylaminomethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 155778897
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203048
N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
CID 97212779
4-[(2-amino-4-methylpentyl)amino]-N-ethylpyridine-2-carboxamide
CID 107159414
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-(2-methylpropyl)-4-[2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202985
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109202921) is 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1cc(NC(C)(C)C)ccn1.
What is the InChIKey of 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is FLZBMFDBVUDCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)9-16-13(18)12-8-11(6-7-15-12)17-14(3,4)5/h6-8,10H,9H2,1-5H3,(H,15,17)(H,16,18).
What are the key properties of 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109202921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).