N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide

C13H21N3O2 — CID 113436109

IUPACN-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC)CCO)nc1
InChIInChI=1S/C13H21N3O2/c1-3-7-14-11-5-6-12(15-10-11)13(18)16(4-2)8-9-17/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeyKLMDXMLEFPBJFY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 113436109) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID113436109
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC)CCO)nc1
InChIInChI=1S/C13H21N3O2/c1-3-7-14-11-5-6-12(15-10-11)13(18)16(4-2)8-9-17/h5-6,10,14,17H,3-4,7-9H2,1-2H3
InChIKeyKLMDXMLEFPBJFY-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611
N-ethyl-5-(propylamino)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 104640839
5-(pentylamino)-N,N-dipropylpyridine-2-carboxamide
CID 109195823
N-butyl-N-ethyl-5-(methylamino)pyridine-2-carboxamide
CID 104639781
N-(2-hydroxy-2-methylpropyl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104641727
N,N-diethyl-5-hydrazinylpyridine-2-carboxamide
CID 104642323
N-methyl-N-phenyl-5-(propylamino)pyridine-2-carboxamide
CID 109179331
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104640516
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-butyl-N-ethyl-5-(propylamino)pyrazine-2-carboxamide
CID 107374046
N,N-diethyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191623

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide (CID 113436109) is N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)N(CC)CCO)nc1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is KLMDXMLEFPBJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-14-11-5-6-12(15-10-11)13(18)16(4-2)8-9-17/h5-6,10,14,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 113436109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).