N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

C18H20ClN3O2 — CID 109185117

IUPACN-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C18H20ClN3O2/c19-16-6-2-1-4-13(16)10-22-18(23)17-8-7-14(11-21-17)20-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23)
InChIKeyQLMGVNJSPIJRJU-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.26
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109185117) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109185117
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NCC2CCCO2)cn1
InChIInChI=1S/C18H20ClN3O2/c19-16-6-2-1-4-13(16)10-22-18(23)17-8-7-14(11-21-17)20-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23)
InChIKeyQLMGVNJSPIJRJU-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
N-[(2-chlorophenyl)methyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324545
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(4-methoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185120
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415
5-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109185242
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206922
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185142

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109185117) is N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(NCC2CCCO2)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is QLMGVNJSPIJRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-16-6-2-1-4-13(16)10-22-18(23)17-8-7-14(11-21-17)20-12-15-5-3-9-24-15/h1-2,4,6-8,11,15,20H,3,5,9-10,12H2,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109185117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).