N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid

C20H35N3O3 — CID 161055186

IUPACN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
SMILESCCC(=O)O.Cc1cc(C(=O)NCC(C)(C)C)cc(NCC(C)(C)C)n1
InChIInChI=1S/C17H29N3O.C3H6O2/c1-12-8-13(15(21)19-11-17(5,6)7)9-14(20-12)18-10-16(2,3)4;1-2-3(4)5/h8-9H,10-11H2,1-7H3,(H,18,20)(H,19,21);2H2,1H3,(H,4,5)
InChIKeyUCQPQGHDBHDFEL-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.10
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid

N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid (PubChem CID 161055186) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
PubChem CID161055186
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
SMILESCCC(=O)O.Cc1cc(C(=O)NCC(C)(C)C)cc(NCC(C)(C)C)n1
InChIInChI=1S/C17H29N3O.C3H6O2/c1-12-8-13(15(21)19-11-17(5,6)7)9-14(20-12)18-10-16(2,3)4;1-2-3(4)5/h8-9H,10-11H2,1-7H3,(H,18,20)(H,19,21);2H2,1H3,(H,4,5)
InChIKeyUCQPQGHDBHDFEL-UHFFFAOYSA-N
XLogP4.10
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
CID 126829249
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 106098439
2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
CID 114941685
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
2-(ethylamino)-6-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106408556
N-(3-bromo-5-methylphenyl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 107578610
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
2-[2-(2-methoxyethoxy)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113378613
2-(ethylamino)-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107420540
2-(ethylamino)-6-methyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897686
2-(ethylamino)-6-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114957522

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid (CID 161055186) is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid is CCC(=O)O.Cc1cc(C(=O)NCC(C)(C)C)cc(NCC(C)(C)C)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid?
The InChIKey is UCQPQGHDBHDFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.C3H6O2/c1-12-8-13(15(21)19-11-17(5,6)7)9-14(20-12)18-10-16(2,3)4;1-2-3(4)5/h8-9H,10-11H2,1-7H3,(H,18,20)(H,19,21);2H2,1H3,(H,4,5).
What are the key properties of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid?
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid has a molecular weight of 365.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid is sourced from PubChem (CID 161055186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).