N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

C14H13N5O — CID 178122092

IUPACN-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESC#Cc1cnc(NC)c2nnc(NC(=O)C3CC3)cc12
InChIInChI=1S/C14H13N5O/c1-3-8-7-16-13(15-2)12-10(8)6-11(18-19-12)17-14(20)9-4-5-9/h1,6-7,9H,4-5H2,2H3,(H,15,16)(H,17,18,20)
InChIKeyKNDUKZCEPSHQMJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.40
Rot. Bonds3

About N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide

N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 178122092) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID178122092
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
SMILESC#Cc1cnc(NC)c2nnc(NC(=O)C3CC3)cc12
InChIInChI=1S/C14H13N5O/c1-3-8-7-16-13(15-2)12-10(8)6-11(18-19-12)17-14(20)9-4-5-9/h1,6-7,9H,4-5H2,2H3,(H,15,16)(H,17,18,20)
InChIKeyKNDUKZCEPSHQMJ-UHFFFAOYSA-N
XLogP1.40
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.40
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-[5-[2-[5-[[(2S)-2-cyanoazetidin-1-yl]methyl]-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121774
methyl 3-[[6-[2-[3-(cyclopropanecarbonylamino)-8-(methylamino)pyrido[3,4-c]pyridazin-5-yl]ethynyl]-3-pyridinyl]methyl]azetidine-1-carboxylate
CID 178121791
N-[8-(methylamino)-5-[2-(trimethyl-λ4-sulfanyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 174184953
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[5-(6-methoxypyrazolo[1,5-a]pyridin-2-yl)-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178121967
cis-(1S,2R)-N-[5-[2-[5-(2-methoxypropan-2-yl)-2-pyridinyl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122450
cis-(1S,2R)-N-[5-[2-[1-(difluoromethyl)pyrazol-3-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178121811
N-[8-(methylamino)-5-[(E)-2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]ethenyl]pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 178122436
cis-(1S,2R)-N-[5-[2-[1-(1,3-difluoropropan-2-yl)pyrazol-4-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122272
cis-(1S,2R)-N-[5-[2-[1-(2-hydroxy-2-methylpropyl)triazolo[4,5-c]pyridin-6-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178121709
cis-(1S,2R)-N-[5-[2-[1-(3-methoxy-1-bicyclo[1.1.1]pentanyl)pyrazol-4-yl]ethynyl]-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122061
cis-(1S,2R)-N-[5-bromo-8-(trideuteriomethylamino)pyrido[3,4-c]pyridazin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 178122519

Frequently Asked Questions

What is the IUPAC name of N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide (CID 178122092) is N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is C#Cc1cnc(NC)c2nnc(NC(=O)C3CC3)cc12.
What is the InChIKey of N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is KNDUKZCEPSHQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-3-8-7-16-13(15-2)12-10(8)6-11(18-19-12)17-14(20)9-4-5-9/h1,6-7,9H,4-5H2,2H3,(H,15,16)(H,17,18,20).
What are the key properties of N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide?
N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethynyl-8-(methylamino)pyrido[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).