N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide

C12H18N4O2 — CID 114167721

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-16-10(17)8-5-4-6-15-9(8)14-3/h4-6H,7H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyDBGASFOBOYPZGL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.36
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 114167721) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID114167721
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(C)(C)C(N)=O
InChIInChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-16-10(17)8-5-4-6-15-9(8)14-3/h4-6H,7H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17)
InChIKeyDBGASFOBOYPZGL-UHFFFAOYSA-N
XLogP0.36
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 104696924
N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237892
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-fluorobenzamide
CID 106276529
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235756
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-chlorobenzamide
CID 114167051
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 106347134

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide (CID 114167721) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCC(C)(C)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is DBGASFOBOYPZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,11(13)18)7-16-10(17)8-5-4-6-15-9(8)14-3/h4-6H,7H2,1-3H3,(H2,13,18)(H,14,15)(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 114167721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).