3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

C24H24ClFN6O2 — CID 68650688

IUPAC3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3cccc(Cl)c3F)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24ClFN6O2/c25-18-8-2-6-16(20(18)26)11-30-23(33)15-5-1-4-14(10-15)19-13-29-22(27)21(32-19)24(34)31-17-7-3-9-28-12-17/h1-2,4-6,8,10,13,17,28H,3,7,9,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t17-/m0/s1
InChIKeyUQXMEWVTQIRPFB-KRWDZBQOSA-N
MW482.95 g/mol
LogP2.93
Rot. Bonds6

About 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide

3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (PubChem CID 68650688) has the molecular formula C24H24ClFN6O2 and a molecular weight of 482.95 g/mol. Its IUPAC name is 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
PubChem CID68650688
Molecular FormulaC24H24ClFN6O2
Molecular Weight482.95 g/mol
Exact Mass482.16
IUPAC Name3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(C(=O)NCc3cccc(Cl)c3F)c2)nc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H24ClFN6O2/c25-18-8-2-6-16(20(18)26)11-30-23(33)15-5-1-4-14(10-15)19-13-29-22(27)21(32-19)24(34)31-17-7-3-9-28-12-17/h1-2,4-6,8,10,13,17,28H,3,7,9,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t17-/m0/s1
InChIKeyUQXMEWVTQIRPFB-KRWDZBQOSA-N
XLogP2.93
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.95
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[(2,4-dimethylphenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650667
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651013
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
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-[[(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]-5-methyl-1,2-oxazole-3-carboxamide
CID 68651764

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide (CID 68650688) is 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is Nc1ncc(-c2cccc(C(=O)NCc3cccc(Cl)c3F)c2)nc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
The InChIKey is UQXMEWVTQIRPFB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24ClFN6O2/c25-18-8-2-6-16(20(18)26)11-30-23(33)15-5-1-4-14(10-15)19-13-29-22(27)21(32-19)24(34)31-17-7-3-9-28-12-17/h1-2,4-6,8,10,13,17,28H,3,7,9,11-12H2,(H2,27,29)(H,30,33)(H,31,34)/t17-/m0/s1.
What are the key properties of 3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide?
3-amino-6-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide has a molecular weight of 482.95 g/mol, XLogP of 2.93, 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-[(3-chloro-2-fluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 68650688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).