N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide

C19H22N4O2S — CID 131930381

IUPACN-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(C#CCO)s2)C1)c1ccnnc1
InChIInChI=1S/C19H22N4O2S/c24-10-2-4-17-5-6-18(26-17)14-23-9-1-3-15(13-23)11-20-19(25)16-7-8-21-22-12-16/h5-8,12,15,24H,1,3,9-11,13-14H2,(H,20,25)
InChIKeyBVWKDLCMNUXPNS-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.52
Rot. Bonds5

About N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide

N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131930381) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID131930381
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NCC1CCCN(Cc2ccc(C#CCO)s2)C1)c1ccnnc1
InChIInChI=1S/C19H22N4O2S/c24-10-2-4-17-5-6-18(26-17)14-23-9-1-3-15(13-23)11-20-19(25)16-7-8-21-22-12-16/h5-8,12,15,24H,1,3,9-11,13-14H2,(H,20,25)
InChIKeyBVWKDLCMNUXPNS-UHFFFAOYSA-N
XLogP1.52
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

3-[5-[[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 46996370
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
4-[(3R)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136728331
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)thiophen-2-yl]prop-2-yn-1-ol
CID 79934808
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
(3S)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-N-[3-(3-methylphenyl)phenyl]piperidine-3-carboxamide
CID 26409080
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
(1S,5R)-6-(cyclobutylmethyl)-3-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72864087
(4S)-1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-methylazepan-4-ol
CID 99930521
1-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 49214504
4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide (CID 131930381) is N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide is O=C(NCC1CCCN(Cc2ccc(C#CCO)s2)C1)c1ccnnc1.
What is the InChIKey of N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is BVWKDLCMNUXPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-10-2-4-17-5-6-18(26-17)14-23-9-1-3-15(13-23)11-20-19(25)16-7-8-21-22-12-16/h5-8,12,15,24H,1,3,9-11,13-14H2,(H,20,25).
What are the key properties of N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide?
N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131930381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).