N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

C18H23N3O — CID 109232118

IUPACN-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-20-16-9-15(10-19-12-16)17(22)21-18(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,21,22)
InChIKeyJFRFANJTUXZBPE-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds4

About N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide

N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232118) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232118
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1CNc1cncc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-20-16-9-15(10-19-12-16)17(22)21-18(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,21,22)
InChIKeyJFRFANJTUXZBPE-UHFFFAOYSA-N
XLogP3.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232130
N-(3-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232132
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134
N-tert-butyl-5-(2-methylanilino)pyridine-3-carboxamide
CID 109239269
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232144
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109232172
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
N-(2,5-dimethoxyphenyl)-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232174
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232118) is N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1ccccc1CNc1cncc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is JFRFANJTUXZBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-7-5-6-8-14(13)11-20-16-9-15(10-19-12-16)17(22)21-18(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide?
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).