N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide

C16H15N5O2 — CID 59186933

IUPACN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-11(22)19-8-12-4-6-18-15(7-12)21-16(23)14(10-20-21)13-3-2-5-17-9-13/h2-7,9-10,20H,8H2,1H3,(H,19,22)
InChIKeyQBOIPJIJRFKSFL-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.26
Rot. Bonds4

About N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide

N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide (PubChem CID 59186933) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide
PubChem CID59186933
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
InChIInChI=1S/C16H15N5O2/c1-11(22)19-8-12-4-6-18-15(7-12)21-16(23)14(10-20-21)13-3-2-5-17-9-13/h2-7,9-10,20H,8H2,1H3,(H,19,22)
InChIKeyQBOIPJIJRFKSFL-UHFFFAOYSA-N
XLogP1.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide (CID 59186933) is N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide is CC(=O)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1.
What is the InChIKey of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide?
The InChIKey is QBOIPJIJRFKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11(22)19-8-12-4-6-18-15(7-12)21-16(23)14(10-20-21)13-3-2-5-17-9-13/h2-7,9-10,20H,8H2,1H3,(H,19,22).
What are the key properties of N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide?
N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 59186933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).