6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

C23H25N3O2 — CID 109155845

IUPAC6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-10-5-4-9-20(21)26-23(27)19-11-12-22(25-15-19)24-14-18-8-6-7-17(3)13-18/h4-13,15-16H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyWHZFKVGMCZZHFP-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds7

About 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide

6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 109155845) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID109155845
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cccc(CNc2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)c1
InChIInChI=1S/C23H25N3O2/c1-16(2)28-21-10-5-4-9-20(21)26-23(27)19-11-12-22(25-15-19)24-14-18-8-6-7-17(3)13-18/h4-13,15-16H,14H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyWHZFKVGMCZZHFP-UHFFFAOYSA-N
XLogP5.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
N-[(3-methylphenyl)methyl]-2-propan-2-yloxyaniline
CID 43739167
6-(2-methoxy-5-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164204
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
2-[(4-fluorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257339
2-(3-methylphenyl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113098613
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109159891
3-chloro-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011684
2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
CID 109255987
N-[3-(dimethylamino)propyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109154379

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 109155845) is 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1cccc(CNc2ccc(C(=O)Nc3ccccc3OC(C)C)cn2)c1.
What is the InChIKey of 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is WHZFKVGMCZZHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)28-21-10-5-4-9-20(21)26-23(27)19-11-12-22(25-15-19)24-14-18-8-6-7-17(3)13-18/h4-13,15-16H,14H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide?
6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylphenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109155845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).