6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide

C23H17ClN6O3 — CID 118505219

IUPAC6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C23H17ClN6O3/c24-16-10-9-13(17-7-4-8-18(27-17)21(25)31)11-15(16)23(33)28-20-12-19(22(26)32)29-30(20)14-5-2-1-3-6-14/h1-12H,(H2,25,31)(H2,26,32)(H,28,33)
InChIKeyVXLKAHXNBSRIAM-UHFFFAOYSA-N
MW460.88 g/mol
LogP3.04
Rot. Bonds6

About 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide

6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide (PubChem CID 118505219) has the molecular formula C23H17ClN6O3 and a molecular weight of 460.88 g/mol. Its IUPAC name is 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide
PubChem CID118505219
Molecular FormulaC23H17ClN6O3
Molecular Weight460.88 g/mol
Exact Mass460.11
IUPAC Name6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1
InChIInChI=1S/C23H17ClN6O3/c24-16-10-9-13(17-7-4-8-18(27-17)21(25)31)11-15(16)23(33)28-20-12-19(22(26)32)29-30(20)14-5-2-1-3-6-14/h1-12H,(H2,25,31)(H2,26,32)(H,28,33)
InChIKeyVXLKAHXNBSRIAM-UHFFFAOYSA-N
XLogP3.04
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.88
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide (CID 118505219) is 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Cl)c(C(=O)Nc3cc(C(N)=O)nn3-c3ccccc3)c2)n1.
What is the InChIKey of 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide?
The InChIKey is VXLKAHXNBSRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3/c24-16-10-9-13(17-7-4-8-18(27-17)21(25)31)11-15(16)23(33)28-20-12-19(22(26)32)29-30(20)14-5-2-1-3-6-14/h1-12H,(H2,25,31)(H2,26,32)(H,28,33).
What are the key properties of 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide?
6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide has a molecular weight of 460.88 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-carbamoyl-1-phenylpyrazol-5-yl)carbamoyl]-4-chlorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118505219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).