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

C25H29N5O2 — CID 68651320

IUPAC3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2)cnc1N
InChIInChI=1S/C25H29N5O2/c1-27-25(31)23-24(26)29-15-21(30-23)19-10-5-9-18(13-19)14-28-20-11-6-12-22(20)32-16-17-7-3-2-4-8-17/h2-5,7-10,13,15,20,22,28H,6,11-12,14,16H2,1H3,(H2,26,29)(H,27,31)/t20-,22-/m1/s1
InChIKeyNFHNNWNMRBDKQB-IFMALSPDSA-N
MW431.54 g/mol
LogP3.31
Rot. Bonds8

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

3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68651320) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide
PubChem CID68651320
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2)cnc1N
InChIInChI=1S/C25H29N5O2/c1-27-25(31)23-24(26)29-15-21(30-23)19-10-5-9-18(13-19)14-28-20-11-6-12-22(20)32-16-17-7-3-2-4-8-17/h2-5,7-10,13,15,20,22,28H,6,11-12,14,16H2,1H3,(H2,26,29)(H,27,31)/t20-,22-/m1/s1
InChIKeyNFHNNWNMRBDKQB-IFMALSPDSA-N
XLogP3.31
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-methyl-6-[3-[[[(1S,2S)-2-phenylcyclopropyl]amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651575
3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 58710570
3-amino-N-methyl-6-[3-[[(2-phenylphenyl)methylamino]methyl]phenyl]pyrazine-2-carboxamide
CID 68651279
3-amino-6-[3-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68652004
3-amino-6-[3-[[[(2S)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68650505
3-amino-N-[2-[[3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carbonyl]amino]cyclohexyl]-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68650751
3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 71111156
3-amino-6-[3-(benzylcarbamoyl)-4-chlorophenyl]-N-methylpyrazine-2-carboxamide
CID 68651264
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
CID 10331970
3-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-6-(6-fluoro-3-pyridinyl)pyrazine-2-carboxamide
CID 171525151
3-amino-6-[3-[[2-[2-(dimethylamino)phenyl]ethylamino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68845937
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide (CID 68651320) is 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(CN[C@@H]3CCC[C@H]3OCc3ccccc3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is NFHNNWNMRBDKQB-IFMALSPDSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-27-25(31)23-24(26)29-15-21(30-23)19-10-5-9-18(13-19)14-28-20-11-6-12-22(20)32-16-17-7-3-2-4-8-17/h2-5,7-10,13,15,20,22,28H,6,11-12,14,16H2,1H3,(H2,26,29)(H,27,31)/t20-,22-/m1/s1.
What are the key properties of 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-[[[(1R,2R)-2-phenylmethoxycyclopentyl]amino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).