2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide

C16H27N3O — CID 106331240

IUPAC2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(CC)CC)cc(NC)n1
InChIInChI=1S/C16H27N3O/c1-6-9-13-10-12(11-14(17-5)18-13)15(20)19-16(4,7-2)8-3/h10-11H,6-9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyRSPZZEMMJRRZHP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.38
Rot. Bonds7

About 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide

2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide (PubChem CID 106331240) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
PubChem CID106331240
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)(CC)CC)cc(NC)n1
InChIInChI=1S/C16H27N3O/c1-6-9-13-10-12(11-14(17-5)18-13)15(20)19-16(4,7-2)8-3/h10-11H,6-9H2,1-5H3,(H,17,18)(H,19,20)
InChIKeyRSPZZEMMJRRZHP-UHFFFAOYSA-N
XLogP3.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331239
2-tert-butyl-6-(methylamino)-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 106331355
2-(3-methylpentan-3-ylamino)-6-propylpyridine-4-carboxylic acid
CID 106329999
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-(ethylamino)-N-propan-2-yl-6-propylpyridine-4-carboxamide
CID 113380930
N-(3-fluoro-4-pyridinyl)-2-(methylamino)-6-propylpyridine-4-carboxamide
CID 107595546
2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 106408604
N-(2-ethoxy-2-methylpropyl)-2-hydrazinyl-6-propylpyridine-4-carboxamide
CID 114944205
2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113381191
2-tert-butyl-N-methyl-6-propylpyrimidin-4-amine
CID 62192152

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide (CID 106331240) is 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC(C)(CC)CC)cc(NC)n1.
What is the InChIKey of 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide?
The InChIKey is RSPZZEMMJRRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-6-9-13-10-12(11-14(17-5)18-13)15(20)19-16(4,7-2)8-3/h10-11H,6-9H2,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide?
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 106331240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).