N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide

C16H27N3O — CID 81240756

IUPACN-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C16H27N3O/c1-7-8-17-14-9-12(2)18-10-13(14)15(20)19(6)11-16(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,17,18)
InChIKeyLFESLSOQFIPHRV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.33
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide

N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81240756) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID81240756
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)CC(C)(C)C
InChIInChI=1S/C16H27N3O/c1-7-8-17-14-9-12(2)18-10-13(14)15(20)19(6)11-16(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,17,18)
InChIKeyLFESLSOQFIPHRV-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-N-(2-methylpropyl)-4-(propylamino)pyridine-3-carboxamide
CID 81236127
N,6-dimethyl-N-pentan-2-yl-4-(propylamino)pyridine-3-carboxamide
CID 81243094
N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81237786
N-butyl-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81235324
4-(ethylamino)-6-methyl-N-propylpyridine-3-carboxamide
CID 81236373
4-(ethylamino)-6-methyl-N,N-dipropylpyridine-3-carboxamide
CID 81235841
4-(ethylamino)-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 81235846
6-methyl-N-[2-oxo-2-(propylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237526
N,6-dimethyl-4-(propylamino)-N-(thiolan-3-yl)pyridine-3-carboxamide
CID 81236205
N-(3-amino-3-oxopropyl)-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243302
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-(propylamino)pyridine-3-carboxamide
CID 81243009
N-(3,3-dimethylbutan-2-yl)-4-(ethylamino)-N,6-dimethylpyridine-3-carboxamide
CID 81243343

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide (CID 81240756) is N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is LFESLSOQFIPHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-7-8-17-14-9-12(2)18-10-13(14)15(20)19(6)11-16(3,4)5/h9-10H,7-8,11H2,1-6H3,(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide?
N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,6-dimethyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81240756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).