N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

C20H22ClN3O3 — CID 42594421

IUPACN-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)c1cccnc1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-19-18(26-13-27-19)7-16(17)12-24-6-2-3-14(11-24)9-23-20(25)15-4-1-5-22-10-15/h1,4-5,7-8,10,14H,2-3,6,9,11-13H2,(H,23,25)/t14-/m1/s1
InChIKeyDLKLQGGRIWGYNF-CQSZACIVSA-N
MW387.87 g/mol
LogP3.11
Rot. Bonds5

About N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 42594421) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID42594421
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)c1cccnc1
InChIInChI=1S/C20H22ClN3O3/c21-17-8-19-18(26-13-27-19)7-16(17)12-24-6-2-3-14(11-24)9-23-20(25)15-4-1-5-22-10-15/h1,4-5,7-8,10,14H,2-3,6,9,11-13H2,(H,23,25)/t14-/m1/s1
InChIKeyDLKLQGGRIWGYNF-CQSZACIVSA-N
XLogP3.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-3-pyridinecarboxamide
CID 2161595
N-(3-(4-(piperonyl)piperazin-1-yl)propyl) isonicotinamide
CID 127027739
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127041966
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 773692
N-Benzo[1,3]dioxol-5-ylmethyl-nicotinamide
CID 655540
1-(1,3-Benzodioxol-5-ylmethyl)-4-(3-pyridinylcarbonyl)piperazine
CID 704380
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 780176
N-(1,3-dioxaindan-5-yl)-6-chloropyridine-3-carboxamide
CID 2081675
N-[1-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 2970366
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxo-1-pyridin-4-ylethyl] 6-chloropyridine-3-carboxylate
CID 3228561
N'-[(6-chloro-1,3-benzodioxol-5-yl)methylene]isonicotinohydrazide
CID 9615536
1-{[(1,3-Dioxaindan-5-yl)methyl]carbamoyl}ethyl 6-chloropyridine-3-carboxylate
CID 24981961

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 42594421) is N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1CCCN(Cc2cc3c(cc2Cl)OCO3)C1)c1cccnc1.
What is the InChIKey of N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DLKLQGGRIWGYNF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c21-17-8-19-18(26-13-27-19)7-16(17)12-24-6-2-3-14(11-24)9-23-20(25)15-4-1-5-22-10-15/h1,4-5,7-8,10,14H,2-3,6,9,11-13H2,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 42594421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).