N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide

C16H19N5O3 — CID 137193676

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)n1
InChIInChI=1S/C16H19N5O3/c1-10-2-7-15(23)21(20-10)12-5-3-11(4-6-12)19-16(24)13-8-14(22)18-9-17-13/h2,7-9,11-12H,3-6H2,1H3,(H,19,24)(H,17,18,22)
InChIKeyZJEUIDSLRQKCKO-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.55
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137193676) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137193676
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)n1
InChIInChI=1S/C16H19N5O3/c1-10-2-7-15(23)21(20-10)12-5-3-11(4-6-12)19-16(24)13-8-14(22)18-9-17-13/h2,7-9,11-12H,3-6H2,1H3,(H,19,24)(H,17,18,22)
InChIKeyZJEUIDSLRQKCKO-UHFFFAOYSA-N
XLogP0.55
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126934601
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 126934650
N-[4-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 126936914
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126934567
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286
N-[[1-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193700

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137193676) is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide is Cc1ccc(=O)n(C2CCC(NC(=O)c3cc(=O)[nH]cn3)CC2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZJEUIDSLRQKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-10-2-7-15(23)21(20-10)12-5-3-11(4-6-12)19-16(24)13-8-14(22)18-9-17-13/h2,7-9,11-12H,3-6H2,1H3,(H,19,24)(H,17,18,22).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137193676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).