N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide

C13H21N3O2 — CID 114164077

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccncc1O
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,8-14)9-16-12(18)10-5-6-15-7-11(10)17/h5-7,17H,3-4,8-9,14H2,1-2H3,(H,16,18)
InChIKeyTYVLDRRAOSBALH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 114164077) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
PubChem CID114164077
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccncc1O
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2,8-14)9-16-12(18)10-5-6-15-7-11(10)17/h5-7,17H,3-4,8-9,14H2,1-2H3,(H,16,18)
InChIKeyTYVLDRRAOSBALH-UHFFFAOYSA-N
XLogP1.28
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
N-(2,2-difluoro-3-hydroxypropyl)-3-hydroxypyridine-4-carboxamide
CID 104864896
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
3-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 113257057
N-(2-amino-3-ethylpentyl)-3-hydroxypyridine-4-carboxamide
CID 106286387
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
CID 81445991
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
CID 114164084
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide (CID 114164077) is N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide is CCC(CC)(CN)CNC(=O)c1ccncc1O.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is TYVLDRRAOSBALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(4-2,8-14)9-16-12(18)10-5-6-15-7-11(10)17/h5-7,17H,3-4,8-9,14H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114164077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).