4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide

C10H13ClN2O3 — CID 81227403

IUPAC4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cnccc1Cl)N(CCO)CCO
InChIInChI=1S/C10H13ClN2O3/c11-9-1-2-12-7-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyJOQYNMBUTATUQS-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.16
Rot. Bonds5

About 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide

4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 81227403) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID81227403
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
SMILESO=C(c1cnccc1Cl)N(CCO)CCO
InChIInChI=1S/C10H13ClN2O3/c11-9-1-2-12-7-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2
InChIKeyJOQYNMBUTATUQS-UHFFFAOYSA-N
XLogP0.16
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N,N-bis(2-hydroxyethyl)pyridine-4-carboxamide
CID 64950885
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
CID 81242925
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564
methyl 3-[(4-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 81229624
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide (CID 81227403) is 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide is O=C(c1cnccc1Cl)N(CCO)CCO.
What is the InChIKey of 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is JOQYNMBUTATUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-9-1-2-12-7-8(9)10(16)13(3-5-14)4-6-15/h1-2,7,14-15H,3-6H2.
What are the key properties of 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide?
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81227403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).