3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide

C23H23N5O2 — CID 68651908

IUPAC3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cnc1N
InChIInChI=1S/C23H23N5O2/c1-25-23(30)20-21(24)26-13-19(27-20)15-8-4-9-16(12-15)22(29)28-18-11-5-7-14-6-2-3-10-17(14)18/h2-4,6,8-10,12-13,18H,5,7,11H2,1H3,(H2,24,26)(H,25,30)(H,28,29)/t18-/m1/s1
InChIKeyJANHEZDUKSHPGB-GOSISDBHSA-N
MW401.47 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide (PubChem CID 68651908) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
PubChem CID68651908
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cnc1N
InChIInChI=1S/C23H23N5O2/c1-25-23(30)20-21(24)26-13-19(27-20)15-8-4-9-16(12-15)22(29)28-18-11-5-7-14-6-2-3-10-17(14)18/h2-4,6,8-10,12-13,18H,5,7,11H2,1H3,(H2,24,26)(H,25,30)(H,28,29)/t18-/m1/s1
InChIKeyJANHEZDUKSHPGB-GOSISDBHSA-N
XLogP2.89
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1S)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]ethyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68653801
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
(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-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-N-[1-(furan-2-carbonyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 71111745
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
3-amino-6-(3-carbamimidoylphenyl)-N-methylpyrazine-2-carboxamide
CID 68650453
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949
3-amino-6-[3-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68652004
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3-amino-6-[3-[[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)amino]methyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 58710570
3-(dimethylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2441074

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide (CID 68651908) is 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is JANHEZDUKSHPGB-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-25-23(30)20-21(24)26-13-19(27-20)15-8-4-9-16(12-15)22(29)28-18-11-5-7-14-6-2-3-10-17(14)18/h2-4,6,8-10,12-13,18H,5,7,11H2,1H3,(H2,24,26)(H,25,30)(H,28,29)/t18-/m1/s1.
What are the key properties of 3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.89, 4 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-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 68651908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).