N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide

C12H19N3O2 — CID 63753834

IUPACN-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-4-6-11(14-9)12(16)15(2)7-10(13)8-17-3/h4-6,10H,7-8,13H2,1-3H3
InChIKeyPCJSCDLCIRUBHW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.44
Rot. Bonds5

About N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide

N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide (PubChem CID 63753834) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
PubChem CID63753834
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(C)n1
InChIInChI=1S/C12H19N3O2/c1-9-5-4-6-11(14-9)12(16)15(2)7-10(13)8-17-3/h4-6,10H,7-8,13H2,1-3H3
InChIKeyPCJSCDLCIRUBHW-UHFFFAOYSA-N
XLogP0.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
N-(2-aminoethyl)-N,6-dimethylpyridine-2-carboxamide
CID 61348528
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
N-(2-hydroxy-3-methoxypropyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62233791
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
N-[2-(dimethylamino)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 110483041
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide (CID 63753834) is N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide is COCC(N)CN(C)C(=O)c1cccc(C)n1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is PCJSCDLCIRUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-4-6-11(14-9)12(16)15(2)7-10(13)8-17-3/h4-6,10H,7-8,13H2,1-3H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide?
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 63753834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).