N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide

C19H26N6O2 — CID 126938010

IUPACN-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cnc[nH]1
InChIInChI=1S/C19H26N6O2/c26-18-10-14-4-3-6-16(14)23-25(18)9-8-24-7-2-1-5-15(24)11-21-19(27)17-12-20-13-22-17/h10,12-13,15H,1-9,11H2,(H,20,22)(H,21,27)
InChIKeyDDQBOPLVBMNKHD-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.74
Rot. Bonds6

About N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide

N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 126938010) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID126938010
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cnc[nH]1
InChIInChI=1S/C19H26N6O2/c26-18-10-14-4-3-6-16(14)23-25(18)9-8-24-7-2-1-5-15(24)11-21-19(27)17-12-20-13-22-17/h10,12-13,15H,1-9,11H2,(H,20,22)(H,21,27)
InChIKeyDDQBOPLVBMNKHD-UHFFFAOYSA-N
XLogP0.74
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrimidine-4-carboxamide
CID 137193705
2-oxo-N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazine-3-carboxamide
CID 126938304
1-methyl-N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]triazole-4-carboxamide
CID 126937983
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 126938203
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126938157
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126937972
2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938267
N-[[1-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]piperidin-2-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 126938178
2-[2-[2-[(5,6,7,8-tetrahydrocinnolin-3-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938134
2-[2-[2-[[(2-oxo-1H-pyrazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938291
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
2-[2-[2-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126938231

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide (CID 126938010) is N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide is O=C(NCC1CCCCN1CCn1nc2c(cc1=O)CCC2)c1cnc[nH]1.
What is the InChIKey of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is DDQBOPLVBMNKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-18-10-14-4-3-6-16(14)23-25(18)9-8-24-7-2-1-5-15(24)11-21-19(27)17-12-20-13-22-17/h10,12-13,15H,1-9,11H2,(H,20,22)(H,21,27).
What are the key properties of N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]piperidin-2-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 126938010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).