N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide

C12H19N3O3 — CID 106243160

IUPACN-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccncc1OC
InChIInChI=1S/C12H19N3O3/c1-17-8-9(13)3-6-15-12(16)10-4-5-14-7-11(10)18-2/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyIFBCJBIPYWSICM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.18
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide

N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide (PubChem CID 106243160) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
PubChem CID106243160
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccncc1OC
InChIInChI=1S/C12H19N3O3/c1-17-8-9(13)3-6-15-12(16)10-4-5-14-7-11(10)18-2/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16)
InChIKeyIFBCJBIPYWSICM-UHFFFAOYSA-N
XLogP0.18
TPSA86.47 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 ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
3-methoxy-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 105064057
N-(4-hydroxybutyl)-3-methoxypyridine-4-carboxamide
CID 106843109
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608
N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-(3-chloro-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106243919
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-amino-4-methoxybutyl)-2-methylpyrazole-3-carboxamide
CID 106243123

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide (CID 106243160) is N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide is COCC(N)CCNC(=O)c1ccncc1OC.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is IFBCJBIPYWSICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-8-9(13)3-6-15-12(16)10-4-5-14-7-11(10)18-2/h4-5,7,9H,3,6,8,13H2,1-2H3,(H,15,16).
What are the key properties of N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide?
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 106243160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).