N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide

C16H20N6O — CID 126919263

IUPACN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CN(c2cc3c(nn2)CCCC3)C1)c1cnc[nH]1
InChIInChI=1S/C16H20N6O/c23-16(14-7-17-10-19-14)18-6-11-8-22(9-11)15-5-12-3-1-2-4-13(12)20-21-15/h5,7,10-11H,1-4,6,8-9H2,(H,17,19)(H,18,23)
InChIKeyKKCMRXLBINMFOI-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.94
Rot. Bonds4

About N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide

N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 126919263) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID126919263
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CN(c2cc3c(nn2)CCCC3)C1)c1cnc[nH]1
InChIInChI=1S/C16H20N6O/c23-16(14-7-17-10-19-14)18-6-11-8-22(9-11)15-5-12-3-1-2-4-13(12)20-21-15/h5,7,10-11H,1-4,6,8-9H2,(H,17,19)(H,18,23)
InChIKeyKKCMRXLBINMFOI-UHFFFAOYSA-N
XLogP0.94
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methanamine
CID 126919375
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 126918495
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126916983
3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 126919277
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-sulfonamide
CID 126918560
2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 126919295
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126918502
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 126919228
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
2-(1H-indol-3-yl)-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126919251
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 126918547
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126919225

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide (CID 126919263) is N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NCC1CN(c2cc3c(nn2)CCCC3)C1)c1cnc[nH]1.
What is the InChIKey of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is KKCMRXLBINMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(14-7-17-10-19-14)18-6-11-8-22(9-11)15-5-12-3-1-2-4-13(12)20-21-15/h5,7,10-11H,1-4,6,8-9H2,(H,17,19)(H,18,23).
What are the key properties of N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 126919263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).