5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

C11H16ClN3O2 — CID 114046044

IUPAC5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-2-15(4-3-5-16)11(17)9-6-8(13)7-14-10(9)12/h6-7,16H,2-5,13H2,1H3
InChIKeyFJRRZEPUUUXSEZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.16
Rot. Bonds5

About 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide

5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 114046044) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID114046044
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESCCN(CCCO)C(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C11H16ClN3O2/c1-2-15(4-3-5-16)11(17)9-6-8(13)7-14-10(9)12/h6-7,16H,2-5,13H2,1H3
InChIKeyFJRRZEPUUUXSEZ-UHFFFAOYSA-N
XLogP1.16
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 113339390
N-butyl-2-chloro-N-ethyl-5-fluoropyridine-3-carboxamide
CID 103891528
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
CID 106772800
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
N-ethyl-N-(3-hydroxypropyl)-2,5-dimethylthiophene-3-carboxamide
CID 115772041
5-amino-N-ethyl-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61040071
5-amino-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55006975

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 114046044) is 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is CCN(CCCO)C(=O)c1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is FJRRZEPUUUXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-2-15(4-3-5-16)11(17)9-6-8(13)7-14-10(9)12/h6-7,16H,2-5,13H2,1H3.
What are the key properties of 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide?
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 114046044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).