N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide

C12H19N3O — CID 62181506

IUPACN-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyQLVXRVXXCPTCQN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds3

About N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide

N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62181506) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62181506
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCC(C)(C)C
InChIInChI=1S/C12H19N3O/c1-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyQLVXRVXXCPTCQN-UHFFFAOYSA-N
XLogP1.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237892
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(methylamino)pyridine-3-carboxamide
CID 114167721
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62235756
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
2-(methylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 62179696
2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701808
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 62179516

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide (CID 62181506) is N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is QLVXRVXXCPTCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13-4/h5-7H,8H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide?
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62181506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).