1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

C23H25ClN6O — CID 44576684

IUPAC1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H25ClN6O/c1-2-28-23(22(25)31)9-13-30(14-10-23)19-15-27-20(16-3-5-18(24)6-4-16)21(29-19)17-7-11-26-12-8-17/h3-8,11-12,15,28H,2,9-10,13-14H2,1H3,(H2,25,31)
InChIKeyIHQAQRHTEQQEAH-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.29
Rot. Bonds6

About 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide

1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (PubChem CID 44576684) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
PubChem CID44576684
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide
SMILESCCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1
InChIInChI=1S/C23H25ClN6O/c1-2-28-23(22(25)31)9-13-30(14-10-23)19-15-27-20(16-3-5-18(24)6-4-16)21(29-19)17-7-11-26-12-8-17/h3-8,11-12,15,28H,2,9-10,13-14H2,1H3,(H2,25,31)
InChIKeyIHQAQRHTEQQEAH-UHFFFAOYSA-N
XLogP3.29
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide (CID 44576684) is 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
The InChIKey is IHQAQRHTEQQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-2-28-23(22(25)31)9-13-30(14-10-23)19-15-27-20(16-3-5-18(24)6-4-16)21(29-19)17-7-11-26-12-8-17/h3-8,11-12,15,28H,2,9-10,13-14H2,1H3,(H2,25,31).
What are the key properties of 1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide?
1-[5-(4-chlorophenyl)-6-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.29, 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-pyridin-4-ylpyrazin-2-yl]-4-(ethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 44576684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).