N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide

C22H18N6O — CID 10091293

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1
InChIInChI=1S/C22H18N6O/c1-15-13-26-19(14-25-15)22(29)28-21-12-17(8-10-24-21)16-7-9-23-20(11-16)27-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,27)(H,24,28,29)
InChIKeyQCQCMNUQTMIKHU-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.24
Rot. Bonds5

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide (PubChem CID 10091293) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide
PubChem CID10091293
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1
InChIInChI=1S/C22H18N6O/c1-15-13-26-19(14-25-15)22(29)28-21-12-17(8-10-24-21)16-7-9-23-20(11-16)27-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,27)(H,24,28,29)
InChIKeyQCQCMNUQTMIKHU-UHFFFAOYSA-N
XLogP4.24
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide (CID 10091293) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QCQCMNUQTMIKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c1-15-13-26-19(14-25-15)22(29)28-21-12-17(8-10-24-21)16-7-9-23-20(11-16)27-18-5-3-2-4-6-18/h2-14H,1H3,(H,23,27)(H,24,28,29).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 10091293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).