5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C21H27N3O2 — CID 109228826

IUPAC5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)18-8-4-5-9-19(18)24-16-11-15(12-22-13-16)20(25)23-14-17-7-6-10-26-17/h4-5,8-9,11-13,17,24H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyOGMDBRJQBVXDIG-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.03
Rot. Bonds5

About 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109228826) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109228826
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H27N3O2/c1-21(2,3)18-8-4-5-9-19(18)24-16-11-15(12-22-13-16)20(25)23-14-17-7-6-10-26-17/h4-5,8-9,11-13,17,24H,6-7,10,14H2,1-3H3,(H,23,25)
InChIKeyOGMDBRJQBVXDIG-UHFFFAOYSA-N
XLogP4.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228849
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
5-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228896
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
4-N-(2-tert-butylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083331
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
5-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228825
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 109228826) is 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is CC(C)(C)c1ccccc1Nc1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is OGMDBRJQBVXDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-21(2,3)18-8-4-5-9-19(18)24-16-11-15(12-22-13-16)20(25)23-14-17-7-6-10-26-17/h4-5,8-9,11-13,17,24H,6-7,10,14H2,1-3H3,(H,23,25).
What are the key properties of 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109228826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).