2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

C20H17Cl3N4O — CID 24830996

IUPAC2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)cnc1Cl
InChIInChI=1S/C20H17Cl3N4O/c21-12-1-2-15-17(10-12)24-6-3-18(15)27-7-4-14(5-8-27)26-20(28)16-9-13(22)11-25-19(16)23/h1-3,6,9-11,14H,4-5,7-8H2,(H,26,28)
InChIKeyMEDPJHMJRLWFQX-UHFFFAOYSA-N
MW435.74 g/mol
LogP4.99
Rot. Bonds3

About 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide

2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 24830996) has the molecular formula C20H17Cl3N4O and a molecular weight of 435.74 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID24830996
Molecular FormulaC20H17Cl3N4O
Molecular Weight435.74 g/mol
Exact Mass434.05
IUPAC Name2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)cnc1Cl
InChIInChI=1S/C20H17Cl3N4O/c21-12-1-2-15-17(10-12)24-6-3-18(15)27-7-4-14(5-8-27)26-20(28)16-9-13(22)11-25-19(16)23/h1-3,6,9-11,14H,4-5,7-8H2,(H,26,28)
InChIKeyMEDPJHMJRLWFQX-UHFFFAOYSA-N
XLogP4.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.74
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 24830997
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-4-methylbenzamide;2,4,6-trichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]benzamide
CID 159324609
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-5-nitrofuran-2-carboxamide
CID 24830844
1-(3-bromophenyl)-3-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-sulfanylurea
CID 87695026
2,3-dichloro-N-[1-[7-(2-phenylethynyl)quinolin-4-yl]piperidin-4-yl]benzamide
CID 24831638
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 24830996) is 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cc(Cl)cnc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is MEDPJHMJRLWFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N4O/c21-12-1-2-15-17(10-12)24-6-3-18(15)27-7-4-14(5-8-27)26-20(28)16-9-13(22)11-25-19(16)23/h1-3,6,9-11,14H,4-5,7-8H2,(H,26,28).
What are the key properties of 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide?
2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 435.74 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24830996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).