N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide

C21H22N4O2 — CID 46884438

IUPACN-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1
InChIInChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3
InChIKeyORHJUUZFBBHDBO-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.91
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide

N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 46884438) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID46884438
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCOc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1
InChIInChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3
InChIKeyORHJUUZFBBHDBO-UHFFFAOYSA-N
XLogP3.91
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide (CID 46884438) is N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide is COc1ccc(N(C(=O)c2cnc(-c3ccccc3C)cn2)C(C)C)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is ORHJUUZFBBHDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)25(16-9-10-20(27-4)24-11-16)21(26)19-13-22-18(12-23-19)17-8-6-5-7-15(17)3/h5-14H,1-4H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide?
N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-5-(2-methylphenyl)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 46884438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).