N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide

C20H19ClN4O2 — CID 52943290

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide
SMILESCc1nc(NCCO)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-15(6-8-19(24-13)23-10-11-26)20(27)25-14-5-7-17(21)16(12-14)18-4-2-3-9-22-18/h2-9,12,26H,10-11H2,1H3,(H,23,24)(H,25,27)
InChIKeyNVWIOXPZVQAFHH-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.76
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide (PubChem CID 52943290) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide
PubChem CID52943290
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide
SMILESCc1nc(NCCO)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-15(6-8-19(24-13)23-10-11-26)20(27)25-14-5-7-17(21)16(12-14)18-4-2-3-9-22-18/h2-9,12,26H,10-11H2,1H3,(H,23,24)(H,25,27)
InChIKeyNVWIOXPZVQAFHH-UHFFFAOYSA-N
XLogP3.76
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide (CID 52943290) is N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide is Cc1nc(NCCO)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide?
The InChIKey is NVWIOXPZVQAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-15(6-8-19(24-13)23-10-11-26)20(27)25-14-5-7-17(21)16(12-14)18-4-2-3-9-22-18/h2-9,12,26H,10-11H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 52943290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).