N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide

C14H14N4O — CID 106901781

IUPACN-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1cccnn1)C1CNc2ccccc2C1
InChIInChI=1S/C14H14N4O/c19-14(17-13-6-3-7-16-18-13)11-8-10-4-1-2-5-12(10)15-9-11/h1-7,11,15H,8-9H2,(H,17,18,19)
InChIKeySXRIXJYSRSLSET-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.70
Rot. Bonds2

About N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901781) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901781
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1cccnn1)C1CNc2ccccc2C1
InChIInChI=1S/C14H14N4O/c19-14(17-13-6-3-7-16-18-13)11-8-10-4-1-2-5-12(10)15-9-11/h1-7,11,15H,8-9H2,(H,17,18,19)
InChIKeySXRIXJYSRSLSET-UHFFFAOYSA-N
XLogP1.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
N-(5-ethyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901710
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(3-carbamoylthiophen-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901385
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901161
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901781) is N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(Nc1cccnn1)C1CNc2ccccc2C1.
What is the InChIKey of N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is SXRIXJYSRSLSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14(17-13-6-3-7-16-18-13)11-8-10-4-1-2-5-12(10)15-9-11/h1-7,11,15H,8-9H2,(H,17,18,19).
What are the key properties of N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).