N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide

C13H21N3O2 — CID 109203048

IUPACN-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(NCC(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-16-11-4-5-14-12(8-11)13(17)15-6-7-18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKCTYIFIRGCFELY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.53
Rot. Bonds7

About N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide

N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109203048) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109203048
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(NCC(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)9-16-11-4-5-14-12(8-11)13(17)15-6-7-18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyKCTYIFIRGCFELY-UHFFFAOYSA-N
XLogP1.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109205668
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
4-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109203053
N-[(4-chlorophenyl)methyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203069
4-[2-(4-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202891
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
N-(4-bromophenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203163
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
4-[(2-amino-4-methylpentyl)amino]-N-ethylpyridine-2-carboxamide
CID 107159414
N-(2-methoxyethyl)-4-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109205837

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide (CID 109203048) is N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide is COCCNC(=O)c1cc(NCC(C)C)ccn1.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is KCTYIFIRGCFELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)9-16-11-4-5-14-12(8-11)13(17)15-6-7-18-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide?
N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).