1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

C23H24Cl2N6O — CID 44576685

IUPAC1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccnc(Cl)c3)n2)CC1
InChIInChI=1S/C23H24Cl2N6O/c1-2-29-23(22(26)32)8-11-31(12-9-23)19-14-28-20(15-3-5-17(24)6-4-15)21(30-19)16-7-10-27-18(25)13-16/h3-7,10,13-14,29H,2,8-9,11-12H2,1H3,(H2,26,32)
InChIKeySQNFNQMIUOAVRI-UHFFFAOYSA-N
MW471.39 g/mol
LogP3.95
Rot. Bonds6

About 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 44576685) has the molecular formula C23H24Cl2N6O and a molecular weight of 471.39 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID44576685
Molecular FormulaC23H24Cl2N6O
Molecular Weight471.39 g/mol
Exact Mass470.14
IUPAC Name1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccnc(Cl)c3)n2)CC1
InChIInChI=1S/C23H24Cl2N6O/c1-2-29-23(22(26)32)8-11-31(12-9-23)19-14-28-20(15-3-5-17(24)6-4-15)21(30-19)16-7-10-27-18(25)13-16/h3-7,10,13-14,29H,2,8-9,11-12H2,1H3,(H2,26,32)
InChIKeySQNFNQMIUOAVRI-UHFFFAOYSA-N
XLogP3.95
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 40
CID 5330369
Pyrazine-Pyridine Biheteroaryl 46
CID 5330374
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 52
CID 5330380
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 61
CID 5330386
Pyrazine-Pyridine Biheteroaryl 41
CID 5330389
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
1-(5-(4-Chlorophenyl)-6-(2,4-dichlorophenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 11949613

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 44576685) is 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccnc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is SQNFNQMIUOAVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6O/c1-2-29-23(22(26)32)8-11-31(12-9-23)19-14-28-20(15-3-5-17(24)6-4-15)21(30-19)16-7-10-27-18(25)13-16/h3-7,10,13-14,29H,2,8-9,11-12H2,1H3,(H2,26,32).
What are the key properties of 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 471.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-6-(2-chloro-4-pyridinyl)pyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 44576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).