N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide

C21H21N5O — CID 126918858

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide
SMILESCN(C(=O)c1ccc2ncccc2c1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C21H21N5O/c1-25(21(27)16-7-8-18-14(10-16)5-3-9-22-18)17-12-26(13-17)20-11-15-4-2-6-19(15)23-24-20/h3,5,7-11,17H,2,4,6,12-13H2,1H3
InChIKeyJCCVYXKNFGCSLA-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.47
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide (PubChem CID 126918858) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide
PubChem CID126918858
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide
SMILESCN(C(=O)c1ccc2ncccc2c1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C21H21N5O/c1-25(21(27)16-7-8-18-14(10-16)5-3-9-22-18)17-12-26(13-17)20-11-15-4-2-6-19(15)23-24-20/h3,5,7-11,17H,2,4,6,12-13H2,1H3
InChIKeyJCCVYXKNFGCSLA-UHFFFAOYSA-N
XLogP2.47
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylisoquinoline-1-carboxamide
CID 126918796
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
CID 126918821
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 126918828
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrido[2,3-d]pyrimidin-4-amine
CID 126919209
5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 126918860
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126919519
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1,3-benzoxazol-2-amine
CID 126918884
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-6-methoxy-N-methylquinolin-4-amine
CID 126918901
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-benzimidazol-2-amine
CID 126918903
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide (CID 126918858) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide is CN(C(=O)c1ccc2ncccc2c1)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide?
The InChIKey is JCCVYXKNFGCSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25(21(27)16-7-8-18-14(10-16)5-3-9-22-18)17-12-26(13-17)20-11-15-4-2-6-19(15)23-24-20/h3,5,7-11,17H,2,4,6,12-13H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 126918858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).