4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide

C11H17N3O2 — CID 43395771

IUPAC4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCC(O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-8(15)7-13-9-4-5-12-10(6-9)11(16)14(2)3/h4-6,8,15H,7H2,1-3H3,(H,12,13)
InChIKeyKWANQRXAJRPSNX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.58
Rot. Bonds4

About 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide

4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 43395771) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
PubChem CID43395771
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCC(O)CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C11H17N3O2/c1-8(15)7-13-9-4-5-12-10(6-9)11(16)14(2)3/h4-6,8,15H,7H2,1-3H3,(H,12,13)
InChIKeyKWANQRXAJRPSNX-UHFFFAOYSA-N
XLogP0.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-(2-piperidin-1-ylpropylamino)pyridine-2-carboxamide
CID 61017944
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
N,N-dimethyl-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridine-2-carboxamide
CID 43402718
N,N-dimethyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxamide
CID 115677825
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxamide
CID 63828084

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide (CID 43395771) is 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide is CC(O)CNc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is KWANQRXAJRPSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(15)7-13-9-4-5-12-10(6-9)11(16)14(2)3/h4-6,8,15H,7H2,1-3H3,(H,12,13).
What are the key properties of 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide?
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 43395771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).