N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide

C13H22N4O — CID 105069666

IUPACN-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C13H22N4O/c1-13(2,17(4)5)9-16-12(18)10-6-7-15-8-11(10)14-3/h6-8,14H,9H2,1-5H3,(H,16,18)
InChIKeyVNOOANHPDSMHCZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide

N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105069666) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
PubChem CID105069666
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C13H22N4O/c1-13(2,17(4)5)9-16-12(18)10-6-7-15-8-11(10)14-3/h6-8,14H,9H2,1-5H3,(H,16,18)
InChIKeyVNOOANHPDSMHCZ-UHFFFAOYSA-N
XLogP1.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-(2,2-dimethylheptyl)-3-(methylamino)pyridine-4-carboxamide
CID 105070761
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-4-(methylamino)pyridine-3-carboxamide
CID 106280202
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
N-ethyl-3-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 105068933
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide (CID 105069666) is N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is VNOOANHPDSMHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,17(4)5)9-16-12(18)10-6-7-15-8-11(10)14-3/h6-8,14H,9H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide?
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).