N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide

C12H19N3O3 — CID 114101845

IUPACN-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(COC)OC
InChIInChI=1S/C12H19N3O3/c1-13-11-7-14-5-4-10(11)12(16)15-6-9(18-3)8-17-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUUCJWZKTPRATEW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.51
Rot. Bonds7

About N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide

N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 114101845) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID114101845
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(COC)OC
InChIInChI=1S/C12H19N3O3/c1-13-11-7-14-5-4-10(11)12(16)15-6-9(18-3)8-17-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUUCJWZKTPRATEW-UHFFFAOYSA-N
XLogP0.51
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 105070238
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105069561
3-hydrazinyl-N-(2-methoxypropyl)pyridine-4-carboxamide
CID 102700639
N-(2-methoxyethyl)-3-(methylamino)-N-pentan-3-ylpyridine-4-carboxamide
CID 105069574
N-(2-chloro-3-methoxypropyl)-3-hydroxypyridine-4-carboxamide
CID 114298783
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
5-amino-N-(2,3-dimethoxypropyl)-1-methylpyrazole-4-carboxamide
CID 104600874
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
3-chloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide
CID 66464589

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide (CID 114101845) is N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC(COC)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is UUCJWZKTPRATEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-11-7-14-5-4-10(11)12(16)15-6-9(18-3)8-17-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide?
N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114101845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).