N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide

C19H18ClN3O2S — CID 133403421

IUPACN-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N(CCO)Cc2ccsc2)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-2-1-3-17(10-16)22-19(25)15-4-5-18(21-11-15)23(7-8-24)12-14-6-9-26-13-14/h1-6,9-11,13,24H,7-8,12H2,(H,22,25)
InChIKeyKELUAIOYCKXCMC-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.05
Rot. Bonds7

About N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide

N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide (PubChem CID 133403421) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide
PubChem CID133403421
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(N(CCO)Cc2ccsc2)nc1
InChIInChI=1S/C19H18ClN3O2S/c20-16-2-1-3-17(10-16)22-19(25)15-4-5-18(21-11-15)23(7-8-24)12-14-6-9-26-13-14/h1-6,9-11,13,24H,7-8,12H2,(H,22,25)
InChIKeyKELUAIOYCKXCMC-UHFFFAOYSA-N
XLogP4.05
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide (CID 133403421) is N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(N(CCO)Cc2ccsc2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide?
The InChIKey is KELUAIOYCKXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-16-2-1-3-17(10-16)22-19(25)15-4-5-18(21-11-15)23(7-8-24)12-14-6-9-26-13-14/h1-6,9-11,13,24H,7-8,12H2,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[2-hydroxyethyl(thiophen-3-ylmethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133403421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).