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

C18H23N3O — CID 109232386

IUPACN-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C18H23N3O/c1-13-6-5-7-14(8-13)10-20-16-9-15(11-19-12-16)17(22)21-18(2,3)4/h5-9,11-12,20H,10H2,1-4H3,(H,21,22)
InChIKeyQFQDBRSPGFAGSL-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.53
Rot. Bonds4

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

N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109232386) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109232386
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCc1cccc(CNc2cncc(C(=O)NC(C)(C)C)c2)c1
InChIInChI=1S/C18H23N3O/c1-13-6-5-7-14(8-13)10-20-16-9-15(11-19-12-16)17(22)21-18(2,3)4/h5-9,11-12,20H,10H2,1-4H3,(H,21,22)
InChIKeyQFQDBRSPGFAGSL-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-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-[(3-methylphenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232350
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
N-(4-bromophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232433
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232371
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109232386) is N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is Cc1cccc(CNc2cncc(C(=O)NC(C)(C)C)c2)c1.
What is the InChIKey of N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is QFQDBRSPGFAGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-6-5-7-14(8-13)10-20-16-9-15(11-19-12-16)17(22)21-18(2,3)4/h5-9,11-12,20H,10H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide?
N-tert-butyl-5-[(3-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-[(3-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109232386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).