2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C16H17N5O2 — CID 137021878

IUPAC2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C16H17N5O2/c1-10-8-16(23)19-14(18-10)6-7-17-15(22)9-13-11-4-2-3-5-12(11)20-21-13/h2-5,8H,6-7,9H2,1H3,(H,17,22)(H,20,21)(H,18,19,23)
InChIKeyQXXSYCNWOSDYDN-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.86
Rot. Bonds5

About 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 137021878) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID137021878
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)Cc2[nH]nc3ccccc23)n1
InChIInChI=1S/C16H17N5O2/c1-10-8-16(23)19-14(18-10)6-7-17-15(22)9-13-11-4-2-3-5-12(11)20-21-13/h2-5,8H,6-7,9H2,1H3,(H,17,22)(H,20,21)(H,18,19,23)
InChIKeyQXXSYCNWOSDYDN-UHFFFAOYSA-N
XLogP0.86
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 137108586
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110
(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]prop-2-enamide
CID 137242264
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 137021852
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
(2S)-2-amino-3-(1H-indol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]propanamide;hydrochloride
CID 154902362
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136664878
3-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136664785
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 136703686
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 136607690
3-(3-fluorophenyl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 135990303
N-[(2R)-2-(ethylamino)propyl]-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 120652726

Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 137021878) is 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is Cc1cc(=O)[nH]c(CCNC(=O)Cc2[nH]nc3ccccc23)n1.
What is the InChIKey of 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is QXXSYCNWOSDYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-8-16(23)19-14(18-10)6-7-17-15(22)9-13-11-4-2-3-5-12(11)20-21-13/h2-5,8H,6-7,9H2,1H3,(H,17,22)(H,20,21)(H,18,19,23).
What are the key properties of 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 311.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 137021878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).