N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

C20H25N3O2 — CID 109228822

IUPACN-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)15-5-7-17(8-6-15)23-18-10-16(11-21-12-18)20(24)22-13-19-4-3-9-25-19/h5-8,10-12,14,19,23H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyWOYTWFQEDIHJBY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109228822) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109228822
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(C)c1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C20H25N3O2/c1-14(2)15-5-7-17(8-6-15)23-18-10-16(11-21-12-18)20(24)22-13-19-4-3-9-25-19/h5-8,10-12,14,19,23H,3-4,9,13H2,1-2H3,(H,22,24)
InChIKeyWOYTWFQEDIHJBY-UHFFFAOYSA-N
XLogP3.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide (CID 109228822) is N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is CC(C)c1ccc(Nc2cncc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is WOYTWFQEDIHJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(2)15-5-7-17(8-6-15)23-18-10-16(11-21-12-18)20(24)22-13-19-4-3-9-25-19/h5-8,10-12,14,19,23H,3-4,9,13H2,1-2H3,(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109228822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).