3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide

C22H23N5O — CID 68651575

IUPAC3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CN[C@H]3C[C@H]3c3ccccc3)c2)cnc1N
InChIInChI=1S/C22H23N5O/c1-24-22(28)20-21(23)26-13-19(27-20)16-9-5-6-14(10-16)12-25-18-11-17(18)15-7-3-2-4-8-15/h2-10,13,17-18,25H,11-12H2,1H3,(H2,23,26)(H,24,28)/t17-,18-/m0/s1
InChIKeyNWWWGDOLONZCFZ-ROUUACIJSA-N
MW373.46 g/mol
LogP2.73
Rot. Bonds6

About 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68651575) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID68651575
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CN[C@H]3C[C@H]3c3ccccc3)c2)cnc1N
InChIInChI=1S/C22H23N5O/c1-24-22(28)20-21(23)26-13-19(27-20)16-9-5-6-14(10-16)12-25-18-11-17(18)15-7-3-2-4-8-15/h2-10,13,17-18,25H,11-12H2,1H3,(H2,23,26)(H,24,28)/t17-,18-/m0/s1
InChIKeyNWWWGDOLONZCFZ-ROUUACIJSA-N
XLogP2.73
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide (CID 68651575) is 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(CN[C@H]3C[C@H]3c3ccccc3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is NWWWGDOLONZCFZ-ROUUACIJSA-N. The full InChI is InChI=1S/C22H23N5O/c1-24-22(28)20-21(23)26-13-19(27-20)16-9-5-6-14(10-16)12-25-18-11-17(18)15-7-3-2-4-8-15/h2-10,13,17-18,25H,11-12H2,1H3,(H2,23,26)(H,24,28)/t17-,18-/m0/s1.
What are the key properties of 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).