3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide

C23H25N5O — CID 68653801

IUPAC3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc([C@H](C)N[C@H]3CCc4ccccc43)c2)cnc1N
InChIInChI=1S/C23H25N5O/c1-14(27-19-11-10-15-6-3-4-9-18(15)19)16-7-5-8-17(12-16)20-13-26-22(24)21(28-20)23(29)25-2/h3-9,12-14,19,27H,10-11H2,1-2H3,(H2,24,26)(H,25,29)/t14-,19-/m0/s1
InChIKeyRCAJDNBHSCRKRL-LIRRHRJNSA-N
MW387.49 g/mol
LogP3.42
Rot. Bonds5

About 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 68653801) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide
PubChem CID68653801
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc([C@H](C)N[C@H]3CCc4ccccc43)c2)cnc1N
InChIInChI=1S/C23H25N5O/c1-14(27-19-11-10-15-6-3-4-9-18(15)19)16-7-5-8-17(12-16)20-13-26-22(24)21(28-20)23(29)25-2/h3-9,12-14,19,27H,10-11H2,1-2H3,(H2,24,26)(H,25,29)/t14-,19-/m0/s1
InChIKeyRCAJDNBHSCRKRL-LIRRHRJNSA-N
XLogP3.42
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651908
3-[5-amino-6-[N'-(methylamino)carbamimidoyl]pyrazin-2-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 68651901
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-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-N-(naphthalen-2-ylmethyl)pyrazine-2-carboxamide
CID 68651663
(3S)-3-[[[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 68650377
3-amino-6-[3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]methyl]phenyl]-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 68651636
3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 58710570
tert-butyl 3-[[3-amino-6-[3-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 68650338
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453
N-[1-(3-methylphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43768440
[3-[5-amino-6-(methylcarbamoyl)pyrazin-2-yl]phenyl]-(9H-fluoren-9-ylmethyl)carbamic acid
CID 71111152
tert-butyl (3S)-3-[[3-amino-6-[3-[[(1R)-2,3-dihydro-1H-inden-1-yl]sulfamoyl]phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylate
CID 68651698

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide (CID 68653801) is 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc([C@H](C)N[C@H]3CCc4ccccc43)c2)cnc1N.
What is the InChIKey of 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is RCAJDNBHSCRKRL-LIRRHRJNSA-N. The full InChI is InChI=1S/C23H25N5O/c1-14(27-19-11-10-15-6-3-4-9-18(15)19)16-7-5-8-17(12-16)20-13-26-22(24)21(28-20)23(29)25-2/h3-9,12-14,19,27H,10-11H2,1-2H3,(H2,24,26)(H,25,29)/t14-,19-/m0/s1.
What are the key properties of 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 68653801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).