N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide

C13H11N5O — CID 102821396

IUPACN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
SMILESNCC#Cc1ccnc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C13H11N5O/c14-5-1-2-10-3-6-15-12(8-10)18-13(19)11-4-7-16-17-9-11/h3-4,6-9H,5,14H2,(H,15,18,19)
InChIKeyHEBSRGMUWSGXCD-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.43
Rot. Bonds2

About N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide

N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide (PubChem CID 102821396) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
PubChem CID102821396
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
SMILESNCC#Cc1ccnc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C13H11N5O/c14-5-1-2-10-3-6-15-12(8-10)18-13(19)11-4-7-16-17-9-11/h3-4,6-9H,5,14H2,(H,15,18,19)
InChIKeyHEBSRGMUWSGXCD-UHFFFAOYSA-N
XLogP0.43
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102820836
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,4-dimethylbenzamide
CID 102821474
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-5-fluoropyridine-3-carboxamide
CID 102821306
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-methoxybenzamide
CID 102821471
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2,6-dihydroxybenzamide
CID 107690785
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-4-fluoro-3-methylbenzamide
CID 102821459
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridazine-4-carboxamide
CID 104671857
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 102821364
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-cyclopropylpropanamide
CID 102821519
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide (CID 102821396) is N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide is NCC#Cc1ccnc(NC(=O)c2ccnnc2)c1.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide?
The InChIKey is HEBSRGMUWSGXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-5-1-2-10-3-6-15-12(8-10)18-13(19)11-4-7-16-17-9-11/h3-4,6-9H,5,14H2,(H,15,18,19).
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide?
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide is sourced from PubChem (CID 102821396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).