acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid

C19H21N7O4 — CID 145336135

IUPACacetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
SMILESCC=O.O=C(O)CCCC(=O)Nc1ccc(C2=NNC(c3ccccn3)=NN2)nc1
InChIInChI=1S/C17H17N7O3.C2H4O/c25-14(5-3-6-15(26)27)20-11-7-8-13(19-10-11)17-23-21-16(22-24-17)12-4-1-2-9-18-12;1-2-3/h1-2,4,7-10H,3,5-6H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27);2H,1H3
InChIKeyUORZUDAPYSDCNE-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.09
Rot. Bonds7

About acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid

acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid (PubChem CID 145336135) has the molecular formula C19H21N7O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid.

Molecular Properties

Compound Nameacetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
PubChem CID145336135
Molecular FormulaC19H21N7O4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Nameacetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid
SMILESCC=O.O=C(O)CCCC(=O)Nc1ccc(C2=NNC(c3ccccn3)=NN2)nc1
InChIInChI=1S/C17H17N7O3.C2H4O/c25-14(5-3-6-15(26)27)20-11-7-8-13(19-10-11)17-23-21-16(22-24-17)12-4-1-2-9-18-12;1-2-3/h1-2,4,7-10H,3,5-6H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27);2H,1H3
InChIKeyUORZUDAPYSDCNE-UHFFFAOYSA-N
XLogP1.09
TPSA158.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983411
8-amino-N-[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]octanamide
CID 169281528
[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamic acid
CID 71015587
tert-butyl N-[6-oxo-6-[[6-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]hexyl]carbamate
CID 70983473
N-[6-(6-pyrimidin-2-yl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]butanamide
CID 70982624
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
5-[3-[(4-fluorophenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 26158966
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
2-methoxy-N-(4-pyridin-2-ylphenyl)acetamide
CID 110460506

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The IUPAC name of acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid (CID 145336135) is acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid.
What is the SMILES notation for acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The canonical SMILES for acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid is CC=O.O=C(O)CCCC(=O)Nc1ccc(C2=NNC(c3ccccn3)=NN2)nc1.
What is the InChIKey of acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
The InChIKey is UORZUDAPYSDCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3.C2H4O/c25-14(5-3-6-15(26)27)20-11-7-8-13(19-10-11)17-23-21-16(22-24-17)12-4-1-2-9-18-12;1-2-3/h1-2,4,7-10H,3,5-6H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27);2H,1H3.
What are the key properties of acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid?
acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid has a molecular weight of 411.42 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-oxo-5-[[6-(6-pyridin-2-yl-1,4-dihydro-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]amino]pentanoic acid is sourced from PubChem (CID 145336135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).