5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

C11H14ClN3O2 — CID 114089582

IUPAC5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H14ClN3O2/c1-2-3-15(4-5-16)11(17)8-6-10(12)14-7-9(8)13/h2,6-7,16H,1,3-5,13H2
InChIKeyRSGXFNDYFRDZAZ-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.94
Rot. Bonds5

About 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide

5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 114089582) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
PubChem CID114089582
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(Cl)ncc1N
InChIInChI=1S/C11H14ClN3O2/c1-2-3-15(4-5-16)11(17)8-6-10(12)14-7-9(8)13/h2,6-7,16H,1,3-5,13H2
InChIKeyRSGXFNDYFRDZAZ-UHFFFAOYSA-N
XLogP0.94
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 114918916
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
5-amino-2,3-dichloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 107185946
2-chloro-5-nitro-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 103730747
2-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-5-sulfanylbenzamide
CID 107035729
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
2-bromo-4-chloro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 103860931
2,3,4,5-tetrafluoro-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115775854
5-ethyl-N-(2-hydroxyethyl)-N-prop-2-enyl-1,3-thiazole-2-carboxamide
CID 75506194
3-fluoro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide
CID 115775734
5-chloro-N-(2-hydroxyethyl)-2-nitro-N-prop-2-enylbenzamide
CID 115776034
1-(5-amino-2-chloro-4-pyridinyl)-2-methylpropan-1-one
CID 118065331

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide (CID 114089582) is 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is C=CCN(CCO)C(=O)c1cc(Cl)ncc1N.
What is the InChIKey of 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is RSGXFNDYFRDZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-3-15(4-5-16)11(17)8-6-10(12)14-7-9(8)13/h2,6-7,16H,1,3-5,13H2.
What are the key properties of 5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide?
5-amino-2-chloro-N-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.94, 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-(2-hydroxyethyl)-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 114089582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).