N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

C27H33N7O3 — CID 118622192

IUPACN-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)NC3CCCCC3)nc2=O)nn1
InChIInChI=1S/C27H33N7O3/c35-25(19-20-9-3-1-4-10-20)29-24-15-14-22(32-33-24)13-7-8-17-34-18-16-23(31-27(34)37)30-26(36)28-21-11-5-2-6-12-21/h1,3-4,9-10,14-16,18,21H,2,5-8,11-13,17,19H2,(H,29,33,35)(H2,28,30,31,36,37)
InChIKeyBXHIMVSRAHSJKJ-UHFFFAOYSA-N
MW503.61 g/mol
LogP3.69
Rot. Bonds10

About N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide

N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (PubChem CID 118622192) has the molecular formula C27H33N7O3 and a molecular weight of 503.61 g/mol. Its IUPAC name is N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
PubChem CID118622192
Molecular FormulaC27H33N7O3
Molecular Weight503.61 g/mol
Exact Mass503.26
IUPAC NameN-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)NC3CCCCC3)nc2=O)nn1
InChIInChI=1S/C27H33N7O3/c35-25(19-20-9-3-1-4-10-20)29-24-15-14-22(32-33-24)13-7-8-17-34-18-16-23(31-27(34)37)30-26(36)28-21-11-5-2-6-12-21/h1,3-4,9-10,14-16,18,21H,2,5-8,11-13,17,19H2,(H,29,33,35)(H2,28,30,31,36,37)
InChIKeyBXHIMVSRAHSJKJ-UHFFFAOYSA-N
XLogP3.69
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.61
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-hydroxy-N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]pyrimidin-4-yl]-2-phenylacetamide
CID 118622135
2-methoxyethyl N-[2-oxo-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]pyrimidin-4-yl]carbamate
CID 118622171
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
benzyl N-[1-[4-[5-(benzylcarbamoyl)-1,3,4-thiadiazol-2-yl]butyl]-2-oxopyrimidin-4-yl]carbamate
CID 118622598
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
N-(6-ethylpyridazin-3-yl)-2-phenylacetamide
CID 123748541
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
N-[6-[4-[5-[[2-[3-[(2-hydroxypiperidin-1-yl)methyl]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 139499831
N-[6-[4-[2-[[2-[3-(2-hydroxyethoxy)phenyl]acetyl]amino]-3-methyl-2H-1,3,4-thiadiazol-5-yl]butyl]pyridazin-3-yl]-2-phenylacetamide
CID 139499389

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide (CID 118622192) is N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCCCn2ccc(NC(=O)NC3CCCCC3)nc2=O)nn1.
What is the InChIKey of N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
The InChIKey is BXHIMVSRAHSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O3/c35-25(19-20-9-3-1-4-10-20)29-24-15-14-22(32-33-24)13-7-8-17-34-18-16-23(31-27(34)37)30-26(36)28-21-11-5-2-6-12-21/h1,3-4,9-10,14-16,18,21H,2,5-8,11-13,17,19H2,(H,29,33,35)(H2,28,30,31,36,37).
What are the key properties of N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide?
N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide has a molecular weight of 503.61 g/mol, XLogP of 3.69, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[4-(cyclohexylcarbamoylamino)-2-oxopyrimidin-1-yl]butyl]pyridazin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 118622192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).