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

C17H17Cl2N3O2 — CID 109229072

IUPACN-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-13(19)7-14(6-12)22-17(23)11-4-15(9-20-8-11)21-10-16-2-1-3-24-16/h4-9,16,21H,1-3,10H2,(H,22,23)
InChIKeyRZZZAZAFRINTNK-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.23
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109229072) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109229072
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-5-13(19)7-14(6-12)22-17(23)11-4-15(9-20-8-11)21-10-16-2-1-3-24-16/h4-9,16,21H,1-3,10H2,(H,22,23)
InChIKeyRZZZAZAFRINTNK-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

N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229049
5-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 109226240
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109229072) is N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cncc(NCC2CCCO2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is RZZZAZAFRINTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-5-13(19)7-14(6-12)22-17(23)11-4-15(9-20-8-11)21-10-16-2-1-3-24-16/h4-9,16,21H,1-3,10H2,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-(3,5-dichlorophenyl)-5-(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-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109229072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).