N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide

C13H21N3O2 — CID 62874297

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cccnc1OC
InChIInChI=1S/C13H21N3O2/c1-4-16(9-10(2)8-14)13(17)11-6-5-7-15-12(11)18-3/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyOPNUROHARQRWOI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide

N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide (PubChem CID 62874297) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
PubChem CID62874297
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide
SMILESCCN(CC(C)CN)C(=O)c1cccnc1OC
InChIInChI=1S/C13H21N3O2/c1-4-16(9-10(2)8-14)13(17)11-6-5-7-15-12(11)18-3/h5-7,10H,4,8-9,14H2,1-3H3
InChIKeyOPNUROHARQRWOI-UHFFFAOYSA-N
XLogP1.15
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxypyridine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63072391
N-(2-cyanoethyl)-N-ethyl-2-methoxypyridine-3-carboxamide
CID 62875482
N-[(2R)-2-cyanopropyl]-N-ethyl-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 95276539
2-[butan-2-yl-(2-methoxypyridine-3-carbonyl)amino]acetic acid
CID 54925733
N,N-diethyl-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 23767035
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
N-(3-amino-2-methylpropyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 62829546
N-(3-hydroxybutyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 113248565
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606
1-ethyl-1-[(2R)-2-hydroxypropyl]-3-(2-methoxy-3-pyridinyl)urea
CID 94780378
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide (CID 62874297) is N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide is CCN(CC(C)CN)C(=O)c1cccnc1OC.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
The InChIKey is OPNUROHARQRWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(9-10(2)8-14)13(17)11-6-5-7-15-12(11)18-3/h5-7,10H,4,8-9,14H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62874297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).