N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

C20H21N5O2 — CID 92634671

IUPACN-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(CCNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)c1
InChIInChI=1S/C20H21N5O2/c1-15-5-4-6-16(11-15)8-10-22-19(26)14-25-13-17(12-23-25)24-20(27)18-7-2-3-9-21-18/h2-7,9,11-13H,8,10,14H2,1H3,(H,22,26)(H,24,27)
InChIKeyQTULLSWOEXZRMR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.20
Rot. Bonds7

About N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide

N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 92634671) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID92634671
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1cccc(CCNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)c1
InChIInChI=1S/C20H21N5O2/c1-15-5-4-6-16(11-15)8-10-22-19(26)14-25-13-17(12-23-25)24-20(27)18-7-2-3-9-21-18/h2-7,9,11-13H,8,10,14H2,1H3,(H,22,26)(H,24,27)
InChIKeyQTULLSWOEXZRMR-UHFFFAOYSA-N
XLogP2.20
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 92634672
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-[1-[2-[[1-(2-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634675
5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
ethyl 2-[1-[[2-[4-(pyridine-2-carbonylamino)pyrazol-1-yl]acetyl]amino]cyclohexyl]acetate
CID 26324333
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]pyridine-2-carboxamide
CID 2991309
6-N-(3,5-dimethylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098441
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520705
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 92634671) is N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is Cc1cccc(CCNC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)c1.
What is the InChIKey of N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is QTULLSWOEXZRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-15-5-4-6-16(11-15)8-10-22-19(26)14-25-13-17(12-23-25)24-20(27)18-7-2-3-9-21-18/h2-7,9,11-13H,8,10,14H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(3-methylphenyl)ethylamino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 92634671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).