2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

C23H22N6O — CID 156758100

IUPAC2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESCC(Nc1ccc(-c2ccnn2C)cc1)C(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C23H22N6O/c1-16(27-20-8-5-17(6-9-20)21-11-13-26-29(21)2)23(30)28-22-10-7-19(15-25-22)18-4-3-12-24-14-18/h3-16,27H,1-2H3,(H,25,28,30)
InChIKeyTZZXGBVCVXUJRH-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.98
Rot. Bonds6

About 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide

2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (PubChem CID 156758100) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
PubChem CID156758100
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
SMILESCC(Nc1ccc(-c2ccnn2C)cc1)C(=O)Nc1ccc(-c2cccnc2)cn1
InChIInChI=1S/C23H22N6O/c1-16(27-20-8-5-17(6-9-20)21-11-13-26-29(21)2)23(30)28-22-10-7-19(15-25-22)18-4-3-12-24-14-18/h3-16,27H,1-2H3,(H,25,28,30)
InChIKeyTZZXGBVCVXUJRH-UHFFFAOYSA-N
XLogP3.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide (CID 156758100) is 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is CC(Nc1ccc(-c2ccnn2C)cc1)C(=O)Nc1ccc(-c2cccnc2)cn1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
The InChIKey is TZZXGBVCVXUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16(27-20-8-5-17(6-9-20)21-11-13-26-29(21)2)23(30)28-22-10-7-19(15-25-22)18-4-3-12-24-14-18/h3-16,27H,1-2H3,(H,25,28,30).
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide?
2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide has a molecular weight of 398.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)anilino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide is sourced from PubChem (CID 156758100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).