N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C17H17Cl2N3O2 — CID 109153607

IUPACN-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-4-5-14(19)15(8-12)22-17(23)11-3-6-16(20-9-11)21-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,20,21)(H,22,23)
InChIKeyTXLLFOKJSNGMHV-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.23
Rot. Bonds5

About N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109153607) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109153607
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCC2CCCO2)nc1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-4-5-14(19)15(8-12)22-17(23)11-3-6-16(20-9-11)21-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,20,21)(H,22,23)
InChIKeyTXLLFOKJSNGMHV-UHFFFAOYSA-N
XLogP4.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
N-(4-chloro-2-methylphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252602
6-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153660
N-(5-chloro-2-methoxyphenyl)-5-(oxolan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109277030
6-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109153576
N-(4-chlorophenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252599
6-(benzylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109155556
2-chloro-6-fluoro-N-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113010626
3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113039818
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109153607) is N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NCC2CCCO2)nc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is TXLLFOKJSNGMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-4-5-14(19)15(8-12)22-17(23)11-3-6-16(20-9-11)21-10-13-2-1-7-24-13/h3-6,8-9,13H,1-2,7,10H2,(H,20,21)(H,22,23).
What are the key properties of N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109153607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).