N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

C15H16F3N5O2 — CID 162573502

IUPACN-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ccnc(N)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H16F3N5O2/c1-8(10-3-4-20-12(19)5-10)23-13(24)11-6-21-14(9(2)22-11)25-7-15(16,17)18/h3-6,8H,7H2,1-2H3,(H2,19,20)(H,23,24)
InChIKeyKEZDNHGYHMBBCW-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.19
Rot. Bonds5

About N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide

N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (PubChem CID 162573502) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
PubChem CID162573502
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC NameN-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC(C)c2ccnc(N)c2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H16F3N5O2/c1-8(10-3-4-20-12(19)5-10)23-13(24)11-6-21-14(9(2)22-11)25-7-15(16,17)18/h3-6,8H,7H2,1-2H3,(H2,19,20)(H,23,24)
InChIKeyKEZDNHGYHMBBCW-UHFFFAOYSA-N
XLogP2.19
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
N-[1-[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 149459671
2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282
2-amino-N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 67509759
N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114
2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-(2,2-difluoroethoxy)-N-[1-(2-methyl-4-pyridinyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 138673157
2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162622088
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
2-acetamido-N-[1-[5-(iodomethyl)-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 69087823
2-acetamido-N-[1-[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 67509804

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide (CID 162573502) is N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is Cc1nc(C(=O)NC(C)c2ccnc(N)c2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is KEZDNHGYHMBBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8(10-3-4-20-12(19)5-10)23-13(24)11-6-21-14(9(2)22-11)25-7-15(16,17)18/h3-6,8H,7H2,1-2H3,(H2,19,20)(H,23,24).
What are the key properties of N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide?
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 162573502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).