5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C18H20ClN3O2 — CID 109228749

IUPAC5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(NCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-17-6-2-1-4-13(17)10-21-15-8-14(9-20-11-15)18(23)22-12-16-5-3-7-24-16/h1-2,4,6,8-9,11,16,21H,3,5,7,10,12H2,(H,22,23)
InChIKeyGOEXDTMSTUXBQQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.26
Rot. Bonds6

About 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228749) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228749
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1cncc(NCc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O2/c19-17-6-2-1-4-13(17)10-21-15-8-14(9-20-11-15)18(23)22-12-16-5-3-7-24-16/h1-2,4,6,8-9,11,16,21H,3,5,7,10,12H2,(H,22,23)
InChIKeyGOEXDTMSTUXBQQ-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

5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836415
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
2-[(2-chlorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 6986382
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228749) is 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCO1)c1cncc(NCc2ccccc2Cl)c1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GOEXDTMSTUXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-17-6-2-1-4-13(17)10-21-15-8-14(9-20-11-15)18(23)22-12-16-5-3-7-24-16/h1-2,4,6,8-9,11,16,21H,3,5,7,10,12H2,(H,22,23).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-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 5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).