3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C26H30N6O4 — CID 68652015

IUPAC3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1OC
InChIInChI=1S/C26H30N6O4/c1-35-21-9-8-16(11-22(21)36-2)13-30-25(33)18-6-3-5-17(12-18)20-15-29-24(27)23(32-20)26(34)31-19-7-4-10-28-14-19/h3,5-6,8-9,11-12,15,19,28H,4,7,10,13-14H2,1-2H3,(H2,27,29)(H,30,33)(H,31,34)/t19-/m0/s1
InChIKeyVLIBANDMPAPUNC-IBGZPJMESA-N
MW490.56 g/mol
LogP2.15
Rot. Bonds8

About 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68652015) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID68652015
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1OC
InChIInChI=1S/C26H30N6O4/c1-35-21-9-8-16(11-22(21)36-2)13-30-25(33)18-6-3-5-17(12-18)20-15-29-24(27)23(32-20)26(34)31-19-7-4-10-28-14-19/h3,5-6,8-9,11-12,15,19,28H,4,7,10,13-14H2,1-2H3,(H2,27,29)(H,30,33)(H,31,34)/t19-/m0/s1
InChIKeyVLIBANDMPAPUNC-IBGZPJMESA-N
XLogP2.15
TPSA140.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-6-[3-[(3,5-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651270
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
3-amino-6-[3-[(2,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650667
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209
3-amino-6-[3-[(6-chloro-2-fluoro-3-methylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650312
3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650258
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 68651764
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650688
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 68651801
3-amino-6-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651435
3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650722
3-amino-6-[3-[2-(diethylamino)ethoxy]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651617

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68652015) is 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cc1OC.
What is the InChIKey of 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is VLIBANDMPAPUNC-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N6O4/c1-35-21-9-8-16(11-22(21)36-2)13-30-25(33)18-6-3-5-17(12-18)20-15-29-24(27)23(32-20)26(34)31-19-7-4-10-28-14-19/h3,5-6,8-9,11-12,15,19,28H,4,7,10,13-14H2,1-2H3,(H2,27,29)(H,30,33)(H,31,34)/t19-/m0/s1.
What are the key properties of 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 2.15, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68652015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).