N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide

C19H21N5O2 — CID 126930345

IUPACN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1cc2ccccn2c1
InChIInChI=1S/C19H21N5O2/c25-18-8-7-17(21-22-18)24-10-4-2-6-16(24)12-20-19(26)14-11-15-5-1-3-9-23(15)13-14/h1,3,5,7-9,11,13,16H,2,4,6,10,12H2,(H,20,26)(H,22,25)
InChIKeyWAAIOZRGYLTMBY-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.81
Rot. Bonds4

About N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide

N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide (PubChem CID 126930345) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide
PubChem CID126930345
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1cc2ccccn2c1
InChIInChI=1S/C19H21N5O2/c25-18-8-7-17(21-22-18)24-10-4-2-6-16(24)12-20-19(26)14-11-15-5-1-3-9-23(15)13-14/h1,3,5,7-9,11,13,16H,2,4,6,10,12H2,(H,20,26)(H,22,25)
InChIKeyWAAIOZRGYLTMBY-UHFFFAOYSA-N
XLogP1.81
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126930312
7-methoxy-N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126930301
3-[2-[([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930534
N-[3-(2-ethylpiperidin-1-yl)propyl]indolizine-2-carboxamide
CID 46388323
3-[2-[[(1-hydroxycyclopentyl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930538
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
3-[2-[[(6-cyclopropylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930428
3-[2-[[(1-methylimidazol-2-yl)methylamino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930486
3-methyl-2-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methylamino]quinazolin-4-one
CID 126930558
6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 126931012
3-[2-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930427
3-[2-[[[6-(dimethylamino)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 126930439

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide?
The IUPAC name of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide (CID 126930345) is N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide is O=C(NCC1CCCCN1c1ccc(=O)[nH]n1)c1cc2ccccn2c1.
What is the InChIKey of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide?
The InChIKey is WAAIOZRGYLTMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18-8-7-17(21-22-18)24-10-4-2-6-16(24)12-20-19(26)14-11-15-5-1-3-9-23(15)13-14/h1,3,5,7-9,11,13,16H,2,4,6,10,12H2,(H,20,26)(H,22,25).
What are the key properties of N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide?
N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-oxo-1H-pyridazin-3-yl)piperidin-2-yl]methyl]indolizine-2-carboxamide is sourced from PubChem (CID 126930345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).