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

C24H24Cl2N6O2 — CID 68650258

IUPAC3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24Cl2N6O2/c25-17-7-6-16(19(26)10-17)11-30-23(33)15-4-1-3-14(9-15)20-13-29-22(27)21(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9-10,13,18,28H,2,5,8,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1
InChIKeyWIXBIMOANQHQGW-SFHVURJKSA-N
MW499.40 g/mol
LogP3.44
Rot. Bonds6

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

3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68650258) has the molecular formula C24H24Cl2N6O2 and a molecular weight of 499.40 g/mol. Its IUPAC name is 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID68650258
Molecular FormulaC24H24Cl2N6O2
Molecular Weight499.40 g/mol
Exact Mass498.13
IUPAC Name3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24Cl2N6O2/c25-17-7-6-16(19(26)10-17)11-30-23(33)15-4-1-3-14(9-15)20-13-29-22(27)21(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9-10,13,18,28H,2,5,8,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1
InChIKeyWIXBIMOANQHQGW-SFHVURJKSA-N
XLogP3.44
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650688
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209
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-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651435
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-[(3,5-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651270
3-amino-6-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68652015
3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650722
N-[[3-[5-amino-6-[[(3S)-piperidin-3-yl]carbamoyl]pyrazin-2-yl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 68651801
(3S)-3-[[3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]pyrazine-2-carbonyl]amino]pyrrolidine-1-carboxylic acid
CID 68803768
3-amino-6-[3-[(5-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651292

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68650258) is 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)nc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is WIXBIMOANQHQGW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24Cl2N6O2/c25-17-7-6-16(19(26)10-17)11-30-23(33)15-4-1-3-14(9-15)20-13-29-22(27)21(32-20)24(34)31-18-5-2-8-28-12-18/h1,3-4,6-7,9-10,13,18,28H,2,5,8,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t18-/m0/s1.
What are the key properties of 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 499.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-[(2,4-dichlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68650258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).