6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide

C20H22Cl2N4O2 — CID 10526191

IUPAC6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H22Cl2N4O2/c21-16-5-4-14(10-17(16)22)20(28)26-8-6-13(7-9-26)11-24-12-15-2-1-3-18(25-15)19(23)27/h1-5,10,13,24H,6-9,11-12H2,(H2,23,27)
InChIKeyFTGSZGGBPJYMPP-UHFFFAOYSA-N
MW421.33 g/mol
LogP3.13
Rot. Bonds6

About 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide

6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide (PubChem CID 10526191) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide
PubChem CID10526191
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C20H22Cl2N4O2/c21-16-5-4-14(10-17(16)22)20(28)26-8-6-13(7-9-26)11-24-12-15-2-1-3-18(25-15)19(23)27/h1-5,10,13,24H,6-9,11-12H2,(H2,23,27)
InChIKeyFTGSZGGBPJYMPP-UHFFFAOYSA-N
XLogP3.13
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide (CID 10526191) is 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide is NC(=O)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide?
The InChIKey is FTGSZGGBPJYMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c21-16-5-4-14(10-17(16)22)20(28)26-8-6-13(7-9-26)11-24-12-15-2-1-3-18(25-15)19(23)27/h1-5,10,13,24H,6-9,11-12H2,(H2,23,27).
What are the key properties of 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide?
6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide has a molecular weight of 421.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-(3,4-dichlorobenzoyl)piperidin-4-yl]methylamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 10526191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).