5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C21H27N3O2 — CID 109228825

IUPAC5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-8-4-6-15(3)20(19)24-17-10-16(11-22-12-17)21(25)23-13-18-7-5-9-26-18/h4,6,8,10-12,14,18,24H,5,7,9,13H2,1-3H3,(H,23,25)
InChIKeyQIKCCEUSKQNOFN-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.17
Rot. Bonds6

About 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228825) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228825
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cccc(C(C)C)c1Nc1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)19-8-4-6-15(3)20(19)24-17-10-16(11-22-12-17)21(25)23-13-18-7-5-9-26-18/h4,6,8,10-12,14,18,24H,5,7,9,13H2,1-3H3,(H,23,25)
InChIKeyQIKCCEUSKQNOFN-UHFFFAOYSA-N
XLogP4.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.17
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
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
N-[(4-fluorophenyl)methyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-3-carboxamide
CID 109233596
6-[2,6-di(propan-2-yl)anilino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365965
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
2-[2,6-di(propan-2-yl)anilino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301022
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228825) is 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cccc(C(C)C)c1Nc1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QIKCCEUSKQNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)19-8-4-6-15(3)20(19)24-17-10-16(11-22-12-17)21(25)23-13-18-7-5-9-26-18/h4,6,8,10-12,14,18,24H,5,7,9,13H2,1-3H3,(H,23,25).
What are the key properties of 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).