N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide

C16H15N5O2 — CID 135923546

IUPACN-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2nnccc2c(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c22-14(7-6-11-4-2-1-3-5-11)17-10-13-19-15-12(16(23)20-13)8-9-18-21-15/h1-5,8-9H,6-7,10H2,(H,17,22)(H,19,20,21,23)
InChIKeyUHAVZQKNAUNNST-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.96
Rot. Bonds5

About N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide

N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide (PubChem CID 135923546) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide
PubChem CID135923546
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCc1nc2nnccc2c(=O)[nH]1
InChIInChI=1S/C16H15N5O2/c22-14(7-6-11-4-2-1-3-5-11)17-10-13-19-15-12(16(23)20-13)8-9-18-21-15/h1-5,8-9H,6-7,10H2,(H,17,22)(H,19,20,21,23)
InChIKeyUHAVZQKNAUNNST-UHFFFAOYSA-N
XLogP0.96
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-oxo-3H-pteridin-2-yl)methyl]-3-phenylpropanamide
CID 160656435
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-[(3-fluorophenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137292595
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 136663690
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylpropanamide
CID 91773590
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(1H-benzimidazol-2-ylmethyl)-3-(4-tert-butylphenyl)propanamide
CID 18105142
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 137210262
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-[4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 167947829
N-[[4-(bromomethyl)phenyl]methyl]-3-phenylpropanamide
CID 107233854
3-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-benzylpropanamide
CID 135868920

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide (CID 135923546) is N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCc1nc2nnccc2c(=O)[nH]1.
What is the InChIKey of N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide?
The InChIKey is UHAVZQKNAUNNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-14(7-6-11-4-2-1-3-5-11)17-10-13-19-15-12(16(23)20-13)8-9-18-21-15/h1-5,8-9H,6-7,10H2,(H,17,22)(H,19,20,21,23).
What are the key properties of N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide?
N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide has a molecular weight of 309.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-6H-pyrimido[4,5-c]pyridazin-7-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 135923546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).