4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide

C22H19N5O2 — CID 161274443

IUPAC4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccoc3)ccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-23-22(28)17-4-2-16(3-5-17)14-27(21-13-24-9-10-26-21)20-12-18(6-8-25-20)19-7-11-29-15-19/h2-13,15H,14H2,1H3,(H,23,28)
InChIKeyOSZUHQXJNPUUHT-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.83
Rot. Bonds6

About 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide

4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide (PubChem CID 161274443) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide
PubChem CID161274443
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccoc3)ccn2)cc1
InChIInChI=1S/C22H19N5O2/c1-23-22(28)17-4-2-16(3-5-17)14-27(21-13-24-9-10-26-21)20-12-18(6-8-25-20)19-7-11-29-15-19/h2-13,15H,14H2,1H3,(H,23,28)
InChIKeyOSZUHQXJNPUUHT-UHFFFAOYSA-N
XLogP3.83
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[[4-(6-acetamido-3-pyridinyl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzoate
CID 121314668
methyl 4-[[pyrazin-2-yl-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinyl]amino]methyl]benzoate
CID 121314594
3-fluoro-N-hydroxy-4-[[[4-[6-(methanesulfinamido)-3-pyridinyl]-2-pyridinyl]-pyrazin-2-ylamino]methyl]benzamide
CID 145071771
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-4-propylbenzamide
CID 122162929
4-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methoxy]-N-methylbenzamide
CID 56783700
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
4-[[furan-2-ylmethyl-[(4-imidazol-1-ylphenyl)methyl]amino]methyl]-N-methylbenzamide
CID 86879111
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide (CID 161274443) is 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(c2cnccn2)c2cc(-c3ccoc3)ccn2)cc1.
What is the InChIKey of 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide?
The InChIKey is OSZUHQXJNPUUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-23-22(28)17-4-2-16(3-5-17)14-27(21-13-24-9-10-26-21)20-12-18(6-8-25-20)19-7-11-29-15-19/h2-13,15H,14H2,1H3,(H,23,28).
What are the key properties of 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide?
4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide has a molecular weight of 385.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(furan-3-yl)-2-pyridinyl]-pyrazin-2-ylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 161274443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).