3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide

C26H25N5O2 — CID 91502013

IUPAC3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(CNCc3ccc(Oc4ccccc4)cc3)c2)nc1C(N)=O
InChIInChI=1S/C26H25N5O2/c27-14-23-25(26(28)32)31-24(17-30-23)20-6-4-5-19(13-20)16-29-15-18-9-11-22(12-10-18)33-21-7-2-1-3-8-21/h1-13,17,29H,14-16,27H2,(H2,28,32)
InChIKeyZSUIPTNRVNUQBP-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.78
Rot. Bonds9

About 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide

3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 91502013) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID91502013
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
SMILESNCc1ncc(-c2cccc(CNCc3ccc(Oc4ccccc4)cc3)c2)nc1C(N)=O
InChIInChI=1S/C26H25N5O2/c27-14-23-25(26(28)32)31-24(17-30-23)20-6-4-5-19(13-20)16-29-15-18-9-11-22(12-10-18)33-21-7-2-1-3-8-21/h1-13,17,29H,14-16,27H2,(H2,28,32)
InChIKeyZSUIPTNRVNUQBP-UHFFFAOYSA-N
XLogP3.78
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-6-[3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 91338091
3-(aminomethyl)-6-[3-(benzamidomethyl)phenyl]pyrazine-2-carboxamide
CID 91597918
3-(aminomethyl)-6-[3-(2-phenylethoxy)phenyl]pyrazine-2-carboxamide
CID 91210304
3-(aminomethyl)-6-[3-[(3-phenoxybenzoyl)amino]phenyl]pyrazine-2-carboxamide
CID 91281479
3-(aminomethyl)-6-[5-(benzylcarbamoyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 91376256
3-(aminomethyl)-6-[3-(2-phenylethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 91250316
4-[4-[(benzylamino)methyl]phenoxy]benzamide
CID 59730151
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651279
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide (CID 91502013) is 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide is NCc1ncc(-c2cccc(CNCc3ccc(Oc4ccccc4)cc3)c2)nc1C(N)=O.
What is the InChIKey of 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is ZSUIPTNRVNUQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-14-23-25(26(28)32)31-24(17-30-23)20-6-4-5-19(13-20)16-29-15-18-9-11-22(12-10-18)33-21-7-2-1-3-8-21/h1-13,17,29H,14-16,27H2,(H2,28,32).
What are the key properties of 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide?
3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[3-[[(4-phenoxyphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91502013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).