N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide

C19H17N5O2 — CID 69362975

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1nccc(-c2cc(C(=O)NC3CCc4ccccc43)c(=O)[nH]n2)n1
InChIInChI=1S/C19H17N5O2/c1-11-20-9-8-16(21-11)17-10-14(19(26)24-23-17)18(25)22-15-7-6-12-4-2-3-5-13(12)15/h2-5,8-10,15H,6-7H2,1H3,(H,22,25)(H,24,26)
InChIKeyJXVCRJXJDZXZKD-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.95
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 69362975) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID69362975
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1nccc(-c2cc(C(=O)NC3CCc4ccccc43)c(=O)[nH]n2)n1
InChIInChI=1S/C19H17N5O2/c1-11-20-9-8-16(21-11)17-10-14(19(26)24-23-17)18(25)22-15-7-6-12-4-2-3-5-13(12)15/h2-5,8-10,15H,6-7H2,1H3,(H,22,25)(H,24,26)
InChIKeyJXVCRJXJDZXZKD-UHFFFAOYSA-N
XLogP1.95
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976368
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795147
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide (CID 69362975) is N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide is Cc1nccc(-c2cc(C(=O)NC3CCc4ccccc43)c(=O)[nH]n2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is JXVCRJXJDZXZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-20-9-8-16(21-11)17-10-14(19(26)24-23-17)18(25)22-15-7-6-12-4-2-3-5-13(12)15/h2-5,8-10,15H,6-7H2,1H3,(H,22,25)(H,24,26).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 69362975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).