N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide

C19H19N5O2 — CID 122275351

IUPACN-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
SMILESCn1cc(-c2ncccc2CNC(=O)CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C19H19N5O2/c1-24-13-16(11-23-24)18-15(8-5-9-20-18)10-21-17(25)12-22-19(26)14-6-3-2-4-7-14/h2-9,11,13H,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyXKNRIEQCYOKGSY-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide

N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 122275351) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
PubChem CID122275351
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
SMILESCn1cc(-c2ncccc2CNC(=O)CNC(=O)c2ccccc2)cn1
InChIInChI=1S/C19H19N5O2/c1-24-13-16(11-23-24)18-15(8-5-9-20-18)10-21-17(25)12-22-19(26)14-6-3-2-4-7-14/h2-9,11,13H,10,12H2,1H3,(H,21,25)(H,22,26)
InChIKeyXKNRIEQCYOKGSY-UHFFFAOYSA-N
XLogP1.53
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]benzamide
CID 122162703
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122275349
3-cyano-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275220
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethoxy)benzamide
CID 122275401
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 121022822
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide (CID 122275351) is N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide is Cn1cc(-c2ncccc2CNC(=O)CNC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is XKNRIEQCYOKGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24-13-16(11-23-24)18-15(8-5-9-20-18)10-21-17(25)12-22-19(26)14-6-3-2-4-7-14/h2-9,11,13H,10,12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 349.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 122275351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).