3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide

C17H13F2N5O — CID 97213854

IUPAC3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N[C@H](c1ccncc1)c1cc(F)ccc1F
InChIInChI=1S/C17H13F2N5O/c18-11-1-2-13(19)12(9-11)14(10-3-5-21-6-4-10)24-17(25)15-16(20)23-8-7-22-15/h1-9,14H,(H2,20,23)(H,24,25)/t14-/m1/s1
InChIKeyCLGSSEFLMGOFBR-CQSZACIVSA-N
MW341.32 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide

3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide (PubChem CID 97213854) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide
PubChem CID97213854
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC Name3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)N[C@H](c1ccncc1)c1cc(F)ccc1F
InChIInChI=1S/C17H13F2N5O/c18-11-1-2-13(19)12(9-11)14(10-3-5-21-6-4-10)24-17(25)15-16(20)23-8-7-22-15/h1-9,14H,(H2,20,23)(H,24,25)/t14-/m1/s1
InChIKeyCLGSSEFLMGOFBR-CQSZACIVSA-N
XLogP2.25
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97212722
3-amino-N-[3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrazine-2-carboxamide
CID 122157931
3-amino-4-chloro-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1H-pyrazole-5-carboxamide
CID 77093097
2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
[(2-chloro-5-fluorophenyl)-pyridin-4-ylmethyl]hydrazine
CID 105397743
3-amino-N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]pyrazine-2-carboxamide
CID 111115685
[(2,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192702
(3R)-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]thiolan-3-amine
CID 97322218
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 99947033
2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 43006008
[(2,5-difluorophenyl)-quinoxalin-6-ylmethyl]hydrazine
CID 105221888

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide (CID 97213854) is 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)N[C@H](c1ccncc1)c1cc(F)ccc1F.
What is the InChIKey of 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide?
The InChIKey is CLGSSEFLMGOFBR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H13F2N5O/c18-11-1-2-13(19)12(9-11)14(10-3-5-21-6-4-10)24-17(25)15-16(20)23-8-7-22-15/h1-9,14H,(H2,20,23)(H,24,25)/t14-/m1/s1.
What are the key properties of 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide?
3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(R)-(2,5-difluorophenyl)-pyridin-4-ylmethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 97213854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).