N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C20H15ClN6O — CID 70977685

IUPACN-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cn[nH]c3)ccc2Cl)cn1
InChIInChI=1S/C20H15ClN6O/c1-12-4-5-22-9-16(12)20(28)27-19-11-23-18(10-24-19)15-6-13(2-3-17(15)21)14-7-25-26-8-14/h2-11H,1H3,(H,25,26)(H,24,27,28)
InChIKeyPVIDYZKVULTDKO-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.14
Rot. Bonds4

About N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70977685) has the molecular formula C20H15ClN6O and a molecular weight of 390.83 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70977685
Molecular FormulaC20H15ClN6O
Molecular Weight390.83 g/mol
Exact Mass390.10
IUPAC NameN-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cn[nH]c3)ccc2Cl)cn1
InChIInChI=1S/C20H15ClN6O/c1-12-4-5-22-9-16(12)20(28)27-19-11-23-18(10-24-19)15-6-13(2-3-17(15)21)14-7-25-26-8-14/h2-11H,1H3,(H,25,26)(H,24,27,28)
InChIKeyPVIDYZKVULTDKO-UHFFFAOYSA-N
XLogP4.14
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70977685) is N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc(-c3cn[nH]c3)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is PVIDYZKVULTDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O/c1-12-4-5-22-9-16(12)20(28)27-19-11-23-18(10-24-19)15-6-13(2-3-17(15)21)14-7-25-26-8-14/h2-11H,1H3,(H,25,26)(H,24,27,28).
What are the key properties of N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70977685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).