N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide

C16H14N4O — CID 90652525

IUPACN-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnnc2)c2cccnc12
InChIInChI=1S/C16H14N4O/c1-11-4-5-12(14-3-2-7-17-15(11)14)9-18-16(21)13-6-8-19-20-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyPRSHTPQZLWXYQT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.26
Rot. Bonds3

About N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide

N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide (PubChem CID 90652525) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
PubChem CID90652525
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnnc2)c2cccnc12
InChIInChI=1S/C16H14N4O/c1-11-4-5-12(14-3-2-7-17-15(11)14)9-18-16(21)13-6-8-19-20-10-13/h2-8,10H,9H2,1H3,(H,18,21)
InChIKeyPRSHTPQZLWXYQT-UHFFFAOYSA-N
XLogP2.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(8-methylquinolin-5-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 118788154
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375
2-methyl-N-[2-[(8-methylquinolin-5-yl)carbamoylamino]ethyl]propanamide
CID 47033502
(8-methylquinolin-5-yl)methanamine
CID 51072174
N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 175769075
N-(2-methoxyethyl)pyridazine-4-carboxamide
CID 143705997
N-(2-phenylacetyl)pyridazine-4-carboxamide
CID 67616367
2-methyl-5-[(pyridazine-4-carbonylamino)methyl]furan-3-carboxylic acid
CID 112555135
N-[(2-methylphenyl)methyl]-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109255647
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
1-[(4-methylnaphthalen-1-yl)methyl]-3-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 167827928
N-(8-methylquinolin-5-yl)-2-naphthalen-2-ylacetamide
CID 38280575

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide (CID 90652525) is N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnnc2)c2cccnc12.
What is the InChIKey of N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide?
The InChIKey is PRSHTPQZLWXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-4-5-12(14-3-2-7-17-15(11)14)9-18-16(21)13-6-8-19-20-10-13/h2-8,10H,9H2,1H3,(H,18,21).
What are the key properties of N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide?
N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 90652525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).