4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide

C12H19N3O2 — CID 43395737

IUPAC4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCCC(CO)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-4-9(8-16)14-10-5-6-13-11(7-10)12(17)15(2)3/h5-7,9,16H,4,8H2,1-3H3,(H,13,14)
InChIKeyMHTWWCNGQWRVEH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds5

About 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide

4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 43395737) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
PubChem CID43395737
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCCC(CO)Nc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C12H19N3O2/c1-4-9(8-16)14-10-5-6-13-11(7-10)12(17)15(2)3/h5-7,9,16H,4,8H2,1-3H3,(H,13,14)
InChIKeyMHTWWCNGQWRVEH-UHFFFAOYSA-N
XLogP0.97
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917
4-[(2-hydroxy-1-phenylethyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63182907
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
4-[(1-amino-4-methylpentan-3-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 106357616
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
N,N-dimethyl-4-(1-pyridin-2-ylethylamino)pyridine-2-carboxamide
CID 43397218
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide (CID 43395737) is 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide is CCC(CO)Nc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is MHTWWCNGQWRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-9(8-16)14-10-5-6-13-11(7-10)12(17)15(2)3/h5-7,9,16H,4,8H2,1-3H3,(H,13,14).
What are the key properties of 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide?
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 43395737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).