N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

C19H22ClN3O2 — CID 109228950

IUPACN-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-8-22-19(24)15-10-17(12-21-11-15)23-13-18-2-1-9-25-18/h3-6,10-12,18,23H,1-2,7-9,13H2,(H,22,24)
InChIKeyQIYTUIYTMSWVOI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109228950) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID109228950
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cncc(NCC2CCCO2)c1
InChIInChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-8-22-19(24)15-10-17(12-21-11-15)23-13-18-2-1-9-25-18/h3-6,10-12,18,23H,1-2,7-9,13H2,(H,22,24)
InChIKeyQIYTUIYTMSWVOI-UHFFFAOYSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
N-[2-(4-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223411
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
N-[2-(4-chlorophenyl)ethyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109237830

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide (CID 109228950) is N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cncc(NCC2CCCO2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QIYTUIYTMSWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-8-22-19(24)15-10-17(12-21-11-15)23-13-18-2-1-9-25-18/h3-6,10-12,18,23H,1-2,7-9,13H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).