3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide

C15H14Cl2N2O2 — CID 22601457

IUPAC3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CCO)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-8-18-9-13(17)14(12)15(21)19-7-11-3-1-10(2-4-11)5-6-20/h1-4,8-9,20H,5-7H2,(H,19,21)
InChIKeyNIOGYZVOANPNQJ-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.85
Rot. Bonds5

About 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide

3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 22601457) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID22601457
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(CCO)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-8-18-9-13(17)14(12)15(21)19-7-11-3-1-10(2-4-11)5-6-20/h1-4,8-9,20H,5-7H2,(H,19,21)
InChIKeyNIOGYZVOANPNQJ-UHFFFAOYSA-N
XLogP2.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
CID 167814570
N-[[4-(2-hydroxyethyl)phenyl]methyl]benzamide
CID 67712441
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
CID 66482036
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
4-N-[[4-(3-hydroxypropyl)phenyl]methyl]benzene-1,2,3,4,5,6-hexacarboxamide
CID 87350237
3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
CID 175522535
2,3,4,5,6-pentafluoro-N-[[4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4597287
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide (CID 22601457) is 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(CCO)cc1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is NIOGYZVOANPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-8-18-9-13(17)14(12)15(21)19-7-11-3-1-10(2-4-11)5-6-20/h1-4,8-9,20H,5-7H2,(H,19,21).
What are the key properties of 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide?
3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 22601457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).