3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C16H20F2N6O2 — CID 135375502

IUPAC3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCC(F)(F)C2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H20F2N6O2/c1-10-11(15-21-5-8-26-15)23-13(19)12(22-10)14(25)20-4-2-6-24-7-3-16(17,18)9-24/h5,8H,2-4,6-7,9H2,1H3,(H2,19,23)(H,20,25)
InChIKeyPYKSAAIFKYCRII-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.48
Rot. Bonds6

About 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 135375502) has the molecular formula C16H20F2N6O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID135375502
Molecular FormulaC16H20F2N6O2
Molecular Weight366.37 g/mol
Exact Mass366.16
IUPAC Name3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCC(F)(F)C2)c(N)nc1-c1ncco1
InChIInChI=1S/C16H20F2N6O2/c1-10-11(15-21-5-8-26-15)23-13(19)12(22-10)14(25)20-4-2-6-24-7-3-16(17,18)9-24/h5,8H,2-4,6-7,9H2,1H3,(H2,19,23)(H,20,25)
InChIKeyPYKSAAIFKYCRII-UHFFFAOYSA-N
XLogP1.48
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(3-fluoropyrazin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351037
3-amino-N-[(1R,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351041
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 121351137
3-amino-N-[(1S,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351139
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
CID 121351150
3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351163
3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351212
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
CID 121351254
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
CID 121351303
3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351331
3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 135375502) is 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCCCN2CCC(F)(F)C2)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is PYKSAAIFKYCRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N6O2/c1-10-11(15-21-5-8-26-15)23-13(19)12(22-10)14(25)20-4-2-6-24-7-3-16(17,18)9-24/h5,8H,2-4,6-7,9H2,1H3,(H2,19,23)(H,20,25).
What are the key properties of 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 135375502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).