N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide

C20H21N5O — CID 126918821

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
SMILESCN(C(=O)c1cc2ccccn2c1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C20H21N5O/c1-23(20(26)15-9-16-6-2-3-8-24(16)11-15)17-12-25(13-17)19-10-14-5-4-7-18(14)21-22-19/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3
InChIKeyNXMSILGERKKYMG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.18
Rot. Bonds3

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide (PubChem CID 126918821) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
PubChem CID126918821
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide
SMILESCN(C(=O)c1cc2ccccn2c1)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C20H21N5O/c1-23(20(26)15-9-16-6-2-3-8-24(16)11-15)17-12-25(13-17)19-10-14-5-4-7-18(14)21-22-19/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3
InChIKeyNXMSILGERKKYMG-UHFFFAOYSA-N
XLogP2.18
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.18
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-methylquinoline-6-carboxamide
CID 126918858
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
CID 126918862
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,5-dimethylpyrazine-2-carboxamide
CID 126918828
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-amine
CID 126919204
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
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126919519
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
N-benzyl-N-methyl-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919881
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]-N-methyl-1H-benzimidazol-2-amine
CID 126918903

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide (CID 126918821) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide is CN(C(=O)c1cc2ccccn2c1)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-methylindolizine-2-carboxamide?
The InChIKey is NXMSILGERKKYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23(20(26)15-9-16-6-2-3-8-24(16)11-15)17-12-25(13-17)19-10-14-5-4-7-18(14)21-22-19/h2-3,6,8-11,17H,4-5,7,12-13H2,1H3.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methylindolizine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.18, 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-methylindolizine-2-carboxamide is sourced from PubChem (CID 126918821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).