4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide

C19H18N6O3 — CID 22046409

IUPAC4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)Nc2ccc(C(N)=O)cc2OCc2cccnc2)cn1
InChIInChI=1S/C19H18N6O3/c1-12-8-23-17(10-22-12)25-19(27)24-15-5-4-14(18(20)26)7-16(15)28-11-13-3-2-6-21-9-13/h2-10H,11H2,1H3,(H2,20,26)(H2,23,24,25,27)
InChIKeyFVCYTBPYWUUOKP-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.50
Rot. Bonds6

About 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide

4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 22046409) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID22046409
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)Nc2ccc(C(N)=O)cc2OCc2cccnc2)cn1
InChIInChI=1S/C19H18N6O3/c1-12-8-23-17(10-22-12)25-19(27)24-15-5-4-14(18(20)26)7-16(15)28-11-13-3-2-6-21-9-13/h2-10H,11H2,1H3,(H2,20,26)(H2,23,24,25,27)
InChIKeyFVCYTBPYWUUOKP-UHFFFAOYSA-N
XLogP2.50
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide (CID 22046409) is 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide is Cc1cnc(NC(=O)Nc2ccc(C(N)=O)cc2OCc2cccnc2)cn1.
What is the InChIKey of 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FVCYTBPYWUUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-12-8-23-17(10-22-12)25-19(27)24-15-5-4-14(18(20)26)7-16(15)28-11-13-3-2-6-21-9-13/h2-10H,11H2,1H3,(H2,20,26)(H2,23,24,25,27).
What are the key properties of 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide?
4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 378.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylpyrazin-2-yl)carbamoylamino]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 22046409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).