2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide

C13H21N3O2 — CID 102700593

IUPAC2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCOC(C)CNC(=O)c1cc(N)nc(C(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-8(2)11-5-10(6-12(14)16-11)13(17)15-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyDBIZLBHGWPMIQR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide

2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 102700593) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
PubChem CID102700593
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
SMILESCOC(C)CNC(=O)c1cc(N)nc(C(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-8(2)11-5-10(6-12(14)16-11)13(17)15-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyDBIZLBHGWPMIQR-UHFFFAOYSA-N
XLogP1.55
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxy-2-methylpropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 104765675
2-amino-6-propan-2-yl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765569
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106280078
2-amino-6-propan-2-yl-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295561
2-amino-6-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 106433006
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-amino-6-propan-2-yl-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298213
2-(2-methoxypropylamino)-6-propan-2-ylpyridine-4-carboxylic acid
CID 102698553
N-(2-methoxypropyl)-3-sulfanylbenzamide
CID 107036660
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
2-amino-6-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-carboxamide
CID 102908018
3-amino-N-(2-methoxypropyl)naphthalene-2-carboxamide
CID 102694900

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide (CID 102700593) is 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide is COC(C)CNC(=O)c1cc(N)nc(C(C)C)c1.
What is the InChIKey of 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is DBIZLBHGWPMIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)11-5-10(6-12(14)16-11)13(17)15-7-9(3)18-4/h5-6,8-9H,7H2,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide?
2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxypropyl)-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 102700593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).