N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

C23H25N3O2 — CID 109232306

IUPACN-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-10-5-4-9-21(22)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27)
InChIKeyPITFQRVLTHNKEV-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.85
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide

N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (PubChem CID 109232306) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
PubChem CID109232306
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccccc3OC(C)C)c2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-22-10-5-4-9-21(22)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27)
InChIKeyPITFQRVLTHNKEV-UHFFFAOYSA-N
XLogP4.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109231733
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
5-(3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241956
3-N-benzyl-5-N-(2-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109105054
N-(3-methoxypropyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109228125
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232288
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
5-(2-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245416
N-(2-ethoxyphenyl)-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109245387
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
5-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109244694

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide (CID 109232306) is N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(Nc3ccccc3OC(C)C)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
The InChIKey is PITFQRVLTHNKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-22-10-5-4-9-21(22)26-20-12-19(14-24-15-20)23(27)25-13-18-8-6-7-17(3)11-18/h4-12,14-16,26H,13H2,1-3H3,(H,25,27).
What are the key properties of N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109232306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).