N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide

C20H20N6O3 — CID 22046428

IUPACN-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccncc2)ccc1NC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C20H20N6O3/c1-13-10-23-18(12-22-13)26-20(28)25-16-4-3-14(9-17(16)29-2)11-24-19(27)15-5-7-21-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyUCXLYJCVIYSPEN-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.76
Rot. Bonds6

About N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide

N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 22046428) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide
PubChem CID22046428
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccncc2)ccc1NC(=O)Nc1cnc(C)cn1
InChIInChI=1S/C20H20N6O3/c1-13-10-23-18(12-22-13)26-20(28)25-16-4-3-14(9-17(16)29-2)11-24-19(27)15-5-7-21-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyUCXLYJCVIYSPEN-UHFFFAOYSA-N
XLogP2.76
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide (CID 22046428) is N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide is COc1cc(CNC(=O)c2ccncc2)ccc1NC(=O)Nc1cnc(C)cn1.
What is the InChIKey of N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is UCXLYJCVIYSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-13-10-23-18(12-22-13)26-20(28)25-16-4-3-14(9-17(16)29-2)11-24-19(27)15-5-7-21-8-6-15/h3-10,12H,11H2,1-2H3,(H,24,27)(H2,23,25,26,28).
What are the key properties of N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide?
N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(5-methylpyrazin-2-yl)carbamoylamino]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 22046428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).